smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
NC(=O)N1CC(c2ccc(Cl)cc2)C1	197266655	GDWRHPQPTSIXPA-UHFFFAOYSA-N	210.664	1.818	0	30	BDAC	
Cc1cc(CCN)cc(Br)n1	95767964	JOQVLLOCTGFMMK-UHFFFAOYSA-N	215.094	1.654	0	30	BDAC	
N[C@@H](Cc1ccc(OC(F)F)cc1)C(=O)O	3223655	ITFQXKAULLPDSW-QMMMGPOBSA-N	231.198	1.242	0	30	BDAC	
O=C(O)CS(=O)(=O)c1ccccc1Cl	34956451	QYDCOBHVEKDBSW-UHFFFAOYSA-N	234.660	1.198	0	30	BDAC	
CC(=O)Nc1ccc(NC(=O)c2ccco2)cn1	153559	ANGQSZYUUZUOBI-UHFFFAOYSA-N	245.238	1.885	0	30	BDAC	
CC(=O)Cc1ccc(NC(C)=O)c([N+](=O)[O-])c1	146791274	SDMXXZZDUNIKPM-UHFFFAOYSA-N	236.227	1.685	0	30	BDAC	
CCOC(=O)/C=C/c1ccc(OC)cn1	114810564	KKZTYTPGHSZBNZ-FNORWQNLSA-N	207.229	1.667	0	30	BDAC	
COc1ncnc(Br)c1C	307505071	KUDZGBNSLSBTCN-UHFFFAOYSA-N	203.039	1.556	0	30	BDAC	
Cc1ccc(S(=O)(=O)Nc2cc[nH]n2)cc1	39121801	WIBCODMQXSROKL-UHFFFAOYSA-N	237.284	1.519	0	30	BDAC	
Cc1cc(=O)nc2n([C@@H](C)C3CC3)[nH]cc1-2	136121981	JSAABXKDQFUFJO-QMMMGPOBSA-N	217.272	1.956	0	30	BDAC	
COc1cccc(NCCC(=O)O)c1C	383406141	ASSZNSGYFFIRFC-UHFFFAOYSA-N	209.245	1.890	0	30	BDAC	
O[C@H]1CC[C@H](CNCc2ccccc2)C1	188827907	FWXKWYDAOLGIHQ-STQMWFEESA-N	205.301	1.937	0	30	BDAC	
O=C(O)Cc1csc([C@H]2CCOC2)n1	51691200	UVEOPFQMVYAQDX-LURJTMIESA-N	213.258	1.274	0	30	BDAC	
CCn1cc(N[C@@H](C)[C@@H]2CCCN2)cn1	400369040	GGSSNQUCESFWSA-ONGXEEELSA-N	208.309	1.455	0	30	BDAC	
C[C@H]1C[C@@H](C)CN(C[C@H]2CCCNC2)C1	251720086	BZNDIWKLEZLXFA-XQQFMLRXSA-N	210.365	1.964	0	30	BDAC	
O[C@H]1CC[C@H](Nc2ccnc(Cl)n2)CC1	252586053	NCDHUGJWJFVPLF-ZKCHVHJHSA-N	227.695	1.845	0	30	BDAC	
NCC[C@@H](C(=O)O)c1ccc(Cl)cc1	1844647	YSUNOHPTERXNIV-SECBINFHSA-N	213.664	1.857	0	30	BDAC	
NCC1[C@H]2CN(Cc3ccccc3)C[C@H]12	101016107	UNLBCCJUBAVNHR-CHWSQXEVSA-N	202.301	1.323	0	30	BDAC	
CCOC(=O)COc1ccc2c(c1)CCC(=O)N2	34938872	QYEVFSONZNYCBJ-UHFFFAOYSA-N	249.266	1.513	0	30	BDAC	
Nc1ccc(Br)c2nccn12	89202391	RONUBAJOCKJQGX-UHFFFAOYSA-N	212.050	1.679	0	30	BDAC	
COC(Cc1cc(C(F)(F)F)n(C)n1)OC	521399659	CJDZAZVRJJZOMZ-UHFFFAOYSA-N	238.209	1.600	0	30	BDAC	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(N)=O	4344050	LJPDJTPZNJKXPW-MRVPVSSYSA-N	230.308	1.411	0	30	BDAC	
O=[S@](O)c1nc(C(F)(F)F)cs1	757092408	KEECSZMPKARDKH-UHFFFAOYSA-N	217.193	1.743	0	30	BDAC	
O=C1CCC(C(=O)O)(C(F)(F)F)CC1	1536148069	KJNBAJKEOJCXSM-UHFFFAOYSA-N	210.151	1.763	0	30	BDAC	
CC(C)C(CCN(C)C)(C(N)=O)C(C)C	31623136	BXDZEWAIMFHWQR-UHFFFAOYSA-N	214.353	1.722	0	30	BDAC	
CCOC(=O)c1cnc(N(C)C)nc1Cl	39307178	HYYWMBIWYPMBGO-UHFFFAOYSA-N	229.667	1.373	0	30	BDAC	
COP(=O)(CC(=O)CCCC(=O)O)OC	96395083	NXUNSBONBLDPBR-UHFFFAOYSA-N	238.176	1.296	0	30	BDAC	
CC(C)N(C)C[C@@H](O)c1cccc(N)c1	1846913	XODLLHICFNHZSZ-GFCCVEGCSA-N	208.305	1.642	0	30	BDAC	
O=C(O)C[C@H](c1ccon1)C(F)(F)F	716314137	FJRZGUSLRMVAEJ-SCSAIBSYSA-N	209.123	1.795	0	30	BDAC	
COC(=O)c1ccc2c(c1)[C@@H](N)CCO2	16082992	IOBRXIWDOUNCAF-VIFPVBQESA-N	207.229	1.256	0	30	BDAC	
C[C@]1(C2CCCCC2)OC[C@@H](CO)O1	31702547	MNGGBXINICRUAP-MNOVXSKESA-N	200.278	1.691	0	30	BDAC	
CCOC(=O)CNC(=O)c1c(F)cccc1F	3137942	YYVZZJLFUOZICP-UHFFFAOYSA-N	243.209	1.258	0	30	BDAC	
COC(=O)[C@@H]1CCCc2ccccc2C1=O	34217412	JDXIXQIVFXMNGR-LLVKDONJSA-N	218.252	1.995	0	30	BDAC	in-vitro
COc1ccc2ncnc(N3CCNCC3)c2c1	115593395	PMKRWXHQMJSASK-UHFFFAOYSA-N	244.298	1.048	0	30	BDAC	
CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CN	307243036	JBNYOYGGGFPKPS-ZIAGYGMSSA-N	234.343	1.482	0	30	BDAC	
CN=[S@](C)(=O)c1cccc(C(=O)O)c1	521399794	PGVPNNCJRLMIIJ-CQSZACIVSA-N	213.258	1.471	0	30	BDAC	
N=C(NO)[C@H]1CCC(=O)N(c2ccccc2)C1	536948740	NBQRTMKSARTJAR-VIFPVBQESA-N	233.271	1.386	0	30	BDAC	
CCN1CCC(c2noc3c2CCN3)CC1	3704184	LZTVUKCODZRYNL-UHFFFAOYSA-N	221.304	1.842	0	30	BDAC	
C[C@H](O)c1cc(Br)nn1C	214583190	SHPWKFCZOBIVJD-BYPYZUCNSA-N	205.055	1.236	0	30	BDAC	
CC(C)[C@@H]1[C@@H](N)CCN1C(=O)OC(C)(C)C	216552146	YWJOZLMVSZUWRH-VHSXEESVSA-N	228.336	1.979	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=N)=O)C1	584646085	JYOPAUPKXFQZPE-BCTVWOGZSA-N	248.348	1.672	0	30	BDAC	
C[C@H](C(=O)O)n1ccc2ccccc2c1=O	36258246	WVVUGOCPOVLEAI-MRVPVSSYSA-N	217.224	1.647	0	30	BDAC	in-vitro
Cc1ccc([C@@](C)(CC(=O)O)C(=O)O)cc1	82290134	QYZDEBOZYXFIMP-GFCCVEGCSA-N	222.240	1.812	0	30	BDAC	
Cc1cc(NC(=O)C[C@H](C)CC(=O)O)no1	100904	GUPVSSZMOKLSBL-LURJTMIESA-N	226.232	1.422	0	30	BDAC	
O=C(O)c1nc2n(c1Cl)CCCC2	83984164	VFZFSWWZNACNBJ-UHFFFAOYSA-N	200.625	1.571	0	30	BDAC	
CC(C)Nc1cc(Cl)ncc1C(=O)NN	223329037	KXVDSEWWEHKHAD-UHFFFAOYSA-N	228.683	1.159	0	30	BDAC	
COC(=O)C1(CCC(=O)O)CCCC1	95931262	ZPFYCWFBOMFSHL-UHFFFAOYSA-N	200.234	1.585	0	30	BDAC	
N[C@@H]1CCCN(c2ccccc2F)C1=O	70061673	NSKQPLABNAZJKP-SECBINFHSA-N	208.236	1.280	0	30	BDAC	in-vitro
CC(C)(C)O[C@H]1CC(=O)C12CCOCC2	642882211	CNPITUSKLNDUOR-JTQLQIEISA-N	212.289	1.940	0	30	BDAC	
CSc1nnc([S@@](C)=O)c2c1CCC2	21995341	VUXXCVWHUXQPFJ-AWEZNQCLSA-N	228.342	1.425	0	30	BDAC	
NCCc1cnc(Br)s1	44397256	ZQHIEYDOPOFFGL-UHFFFAOYSA-N	207.096	1.407	0	30	BDAC	
O=C(O)C(F)(F)C1(O)CCCCCC1	52265549	STESVQMGDQVKGD-UHFFFAOYSA-N	208.204	1.792	0	30	BDAC	
CC(C)(C)OC(=O)C1(CO)CCOCC1	536948723	XKSHQNCLBIGSME-UHFFFAOYSA-N	216.277	1.117	0	30	BDAC	
COc1cc(Br)cc2c1NC(=O)C2	238455995	BKUJJUFNTYIDPI-UHFFFAOYSA-N	242.072	1.952	0	30	BDAC	
O=c1[nH]ccc2nc(Br)ccc12	95763468	TYRYSZWDNCGQQG-UHFFFAOYSA-N	225.045	1.686	0	30	BDAC	
Cc1ccc(Sc2c[nH]c(=O)[nH]c2=O)cc1	39243791	QODOCMMSFNDZGT-UHFFFAOYSA-N	234.280	1.523	0	30	BDAC	
Clc1ccc(OC[C@@H]2C[C@H]3C[C@H]3N2)cn1	1857523376	PYSCVJMLJRHJGJ-OYNCUSHFSA-N	224.691	1.864	0	30	BDAC	
CCOC(=O)[C@@H]1CNc2cccc(C)c2O1	90470893	NTHSJGDRGIEPKD-JTQLQIEISA-N	221.256	1.731	0	30	BDAC	
CCN1C(=O)[C@@H](C(C)=O)C(=O)c2ccccc21	957698440	HEQXZNDTPBXCEB-NSHDSACASA-N	231.251	1.441	0	30	BDAC	
O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	216581984	AUZBEXWVMFBWAT-ZXXMMSQZSA-N	210.151	1.427	0	30	BDAC	in-vitro
Cc1ccn2c(Br)nnc2c1	107391870	FMAFFEYGTRZMCA-UHFFFAOYSA-N	212.050	1.800	0	30	BDAC	
COc1ccc(Br)c[n+]1[O-]	42689429	BPWQUWZZEYRLEE-UHFFFAOYSA-N	204.023	1.091	0	30	BDAC	in-vitro
COc1ccc(C(C)=O)c(NC(C)=O)c1	132986	DNFZRVJKBQULAZ-UHFFFAOYSA-N	207.229	1.856	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCNC[C@@H]21	39093666	AEQQHYBIUSFPDQ-HRDYMLBCSA-N	212.293	1.119	0	30	BDAC	
NCC[C@@H](O)c1cccc(Br)c1	75484287	IPXHDZGCJJOHQI-SECBINFHSA-N	230.105	1.831	0	30	BDAC	
CCOC(=O)c1nnc2ccc(Cl)cn12	238285999	BHBMPVQCORALLK-UHFFFAOYSA-N	225.635	1.559	0	30	BDAC	
Cc1cc(=O)n2nc(C(C)(C)C)cc2[nH]1	165451	MARKXZVYUMHNFZ-UHFFFAOYSA-N	205.261	1.629	0	30	BDAC	
CC(C)(C)OC(=O)N1CSC[C@@H]1CC(=O)O	675079752	XEYKRXYTZFFPMY-ZETCQYMHSA-N	247.316	1.771	0	30	BDAC	
O=c1cc(O)[nH]c(=S)n1C1CCCC1	3326498	AUCGFRFYFVTRFW-UHFFFAOYSA-N	212.274	1.727	0	30	BDAC	
COC(=O)c1c[nH]c2c(OC)cccc12	34076664	HCBRHMIPSNSTTL-UHFFFAOYSA-N	205.213	1.963	0	30	BDAC	
OCc1nc2ccccc2n1[C@@H]1CCNC1	76078864	BIADZUFWLPCKIW-SECBINFHSA-N	217.272	1.063	0	30	BDAC	
CC[C@H]1CCc2oc(CO)cc(=O)c2[C@@H]1O	223616400	AVMHVXFSDVNPBD-JVXZTZIISA-N	224.256	1.138	0	30	BDAC	
C[C@]12C[C@H](O)[C@@H](O)C[C@]1(C)[C@H]1CC[C@H]2O1	606574808	ZKTAEPUJVDEYKB-WGWHJZDNSA-N	212.289	1.076	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H](C(N)=S)C1CC1	70212194	VXGCYMNFTAGKOZ-ZETCQYMHSA-N	230.333	1.576	0	30	BDAC	
c1cc2nc(C3CCNCC3)[nH]c2cn1	19763588	WDEVWLXKLCSSAA-UHFFFAOYSA-N	202.261	1.425	0	30	BDAC	
O=c1[nH]c(O)cc2cc(Br)ccc12	79065397	ZTEBOIFHNCJKDU-UHFFFAOYSA-N	240.056	1.996	0	30	BDAC	
CCN(CC)CCNC1=NCCc2ccccc21	1583	WLDFBDNWPZFNJD-UHFFFAOYSA-N	245.370	1.921	0	30	BDAC	in-man
CSc1nc(N)n2nc(C(C)(C)C)cc2n1	94657	IPPXPIPFGLFBIP-UHFFFAOYSA-N	237.332	1.726	0	30	BDAC	
CCN1C(=O)C[C@H](C(=O)OC)[C@H]1c1cccnc1	299805277	GWTKEZDBMCIPCL-CMPLNLGQSA-N	248.282	1.164	0	30	BDAC	
C#Cc1cc(OC)c(OC)cc1C(=O)OC	140294790	WPODDXBIBIGKQG-UHFFFAOYSA-N	220.224	1.472	0	30	BDAC	
CC(C)(C)OC(=O)C(C)(C)C(=N)NO	400448980	OEFUGVWGZLCEBB-UHFFFAOYSA-N	202.254	1.310	0	30	BDAC	
CC(=O)N(C)[C@H]1OC(=O)C(Cl)=C1Cl	39127375	NWACKVQRVKVMBL-LURJTMIESA-N	224.043	1.037	0	30	BDAC	
COCOc1ccc2c(c1)OC[C@@H]2CC(=O)O	504202261	XJPKDDQTCPEDDI-QMMMGPOBSA-N	238.239	1.620	0	30	BDAC	
COC(=O)[C@@H]1CCNc2ccccc2C1	226073928	LHUHOYMOLWBMSW-SNVBAGLBSA-N	205.257	1.834	0	30	BDAC	
N[C@@H]1CCc2cc(Br)cnc21	95803672	XOOHYQNMUBSEIR-SSDOTTSWSA-N	213.078	1.790	0	30	BDAC	
CC(C)Oc1cnc(-c2ccccn2)[nH]c1=O	116195783	QLOAYWOWEHHSFR-UHFFFAOYSA-N	231.255	1.619	0	30	BDAC	
O=C1OCCCOC(=O)[C@@H]2CCCC[C@H]12	141979836	ALIKYTIVBISXPO-DTORHVGOSA-N	212.245	1.283	0	30	BDAC	
Nc1ccccc1[C@@H](O)Cc1ccncc1	1706323	XWTFNPSOPFWFBO-ZDUSSCGKSA-N	214.268	1.940	0	30	BDAC	
N[C@@H]1CCCN(c2cnc3ccccc3n2)C1	52017859	GMCGVHFBVXMBOO-SNVBAGLBSA-N	228.299	1.557	0	30	BDAC	in-vitro
COc1cc(Br)ccc1[C@@H](N)CO	72199021	IORLMMQRQVGMDV-QMMMGPOBSA-N	246.104	1.450	0	30	BDAC	
CCCCc1cc2c(=O)n(C)c(=O)n(C)c2o1	39121086	JMAZNOBHPYGANK-UHFFFAOYSA-N	236.271	1.173	0	30	BDAC	
O=C(O)[C@@]1(F)CNC[C@H]1c1ccccc1	238860545	ZVYYZPGPSQASCY-GXSJLCMTSA-N	209.220	1.166	0	30	BDAC	
O[C@@H](Cc1ncccn1)C(Cl)(Cl)Cl	71973355	VUJWYIGJVWAAGR-YFKPBYRVSA-N	241.505	1.750	0	30	BDAC	
CC(C)(C)OC(=O)NC1CCN(CCF)CC1	137799364	HEMJKTGSESHVQG-UHFFFAOYSA-N	246.326	1.945	0	30	BDAC	
CCOC(=O)c1cnc(C2CC2)nc1N	126407716	KKOSXJDFZIODAR-UHFFFAOYSA-N	207.233	1.113	0	30	BDAC	
O=C(OCc1ccccc1)N1C[C@H]2C[C@@H](O)[C@H]1C2	196440466	RSMKUMJCVWVRAZ-JHJVBQTASA-N	247.294	1.778	0	30	BDAC	
CC(C)OC[C@H](C)OC[C@@H](C)OCCCO	141637859	IORJUBNHUBMTQM-NEPJUHHUSA-N	234.336	1.604	0	30	BDAC	
O=C1c2ccccc2S(=O)(=O)N1CC1CC1	156998	FHKXTTMBZBOMTE-UHFFFAOYSA-N	237.280	1.241	0	30	BDAC	
COC(=O)CCc1ccc2c(n1)NCCC2	22013795	VEKDTUHLWWSRTK-UHFFFAOYSA-N	220.272	1.545	0	30	BDAC	
O=C1NC[C@H]2C[C@H]1c1cc3nccnc3cc12	100493760	MQEPJJGUAJITEU-XCBNKYQSSA-N	225.251	1.331	0	30	BDAC	in-vitro
CNC(=O)NC(=O)c1cnccc1C(F)(F)F	77773	FTRZSPIVXASKNW-UHFFFAOYSA-N	247.176	1.170	0	30	BDAC	
O=C(O)[C@@H]1CNC[C@H](c2ccccc2)C1	82162638	XORGFPVZKXBBJZ-MNOVXSKESA-N	205.257	1.464	0	30	BDAC	
COc1ccc2c(c1)[C@@H](N)[C@@H](OC)CC2	86119300	GLKZLMXELQFUOC-NWDGAFQWSA-N	207.273	1.656	0	30	BDAC	
Cn1ncc(-c2ccc(F)cc2F)c1N	81003861	PODLPTUNXZNLDT-UHFFFAOYSA-N	209.199	1.948	0	30	BDAC	
N[C@H]1COc2ncc(C(F)(F)F)cc21	238647699	HRGNAWCAUXEGQY-LURJTMIESA-N	204.151	1.493	0	30	BDAC	
Nc1ccccc1OC[C@H]1CCCNC1	259675291	UODHAXXYDGLJBX-JTQLQIEISA-N	206.289	1.647	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1CC(=O)O	212537462	GASMYJSLVLZJBR-SFYZADRCSA-N	247.266	1.809	0	30	BDAC	
CCOCCOCCOC(=O)OCC	116265921	DIKVTMVGJKLRNS-UHFFFAOYSA-N	206.238	1.213	0	30	BDAC	
c1ccc2c(CC3=NNCCN3)cccc2c1	90755334	OHSMLUATMZUCHX-UHFFFAOYSA-N	225.295	1.889	0	30	BDAC	
OC[C@@H]1CCC[C@@H]1O[C@@H]1CCCCO1	100454945	VGPZOQUMOOQFOH-GARJFASQSA-N	200.278	1.691	0	30	BDAC	
Cc1noc(CNC(=O)OC(C)(C)C)n1	34481856	CRDNIBNHJMVSLN-UHFFFAOYSA-N	213.237	1.403	0	30	BDAC	
COC(=O)c1cccc2sc(=O)[nH]c12	45236106	PHZOUQBWNIIGFC-UHFFFAOYSA-N	209.226	1.376	0	30	BDAC	
NC(=O)CNc1nc2ccccc2s1	21506113	FLLDILSMZZTTPT-UHFFFAOYSA-N	207.258	1.194	0	30	BDAC	
CCN1CCc2cc(C=O)cc(C=O)c21	953106379	GNQXTFCARGANCB-UHFFFAOYSA-N	203.241	1.694	0	30	BDAC	
Cn1c(=O)oc(=O)c2ccc(C(F)(F)F)cc21	526059790	FOASAJPSLXPFQF-UHFFFAOYSA-N	245.156	1.511	0	30	BDAC	
CCC(=O)Nc1ccsc1C(=O)OC	82812	DUJXLMDWXUMZCO-UHFFFAOYSA-N	213.258	1.883	0	30	BDAC	
c1ccc(-c2noc(-c3ccno3)n2)nc1	114125	GYYWUKRXUIUFOP-UHFFFAOYSA-N	214.184	1.787	0	30	BDAC	
CC(C)(C)OC(=O)N1C=C(CO)CCC1	1535644988	JNLIQCJOMROMHO-UHFFFAOYSA-N	213.277	1.894	0	30	BDAC	
O=C1CCCCN1C[C@@H](O)c1ccccc1	48235673	AWWFEZRTDZPWAA-GFCCVEGCSA-N	219.284	1.733	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCNC2)C1	83135132	NSYCYVWHKGRXGP-QWRGUYRKSA-N	240.347	1.853	0	30	BDAC	
COC(=O)c1nc(C)nc(C)c1Cl	238347243	PUAKIEQNVJHULU-UHFFFAOYSA-N	200.625	1.533	0	30	BDAC	
O=C(CC1OCCO1)C(F)(F)Cl	584880091	OHLUXAKHZMPRGV-UHFFFAOYSA-N	200.568	1.150	0	30	BDAC	
CNC[C@@H]1CCCN(C)[C@H]1c1ccnn1C	238857277	YOCQJDXLPANCBZ-CMPLNLGQSA-N	222.336	1.022	0	30	BDAC	
CC[C@@H](O)C[S@](=O)(=S)c1ccc(C)cc1	96328943	KYPZPMVQOKYOJF-BMIGLBTASA-N	244.381	1.871	0	30	BDAC	
CN1CCc2c([nH]c3ccc(C(=O)O)cc23)C1=O	20088468	IRKOTZQGJJYXIW-UHFFFAOYSA-N	244.250	1.494	0	30	BDAC	
O=C1CC(=O)N(c2ccc(Cl)cc2)C1	86475376	MMWJVXLNIILJGW-UHFFFAOYSA-N	209.632	1.646	0	30	BDAC	
c1ccc2nn(C3CCNCC3)nc2c1	36372968	QBZKELHEZMUAJP-UHFFFAOYSA-N	202.261	1.356	0	30	BDAC	
CNC(=O)c1ccc(N)c(C(F)(F)F)c1	50697521	AIDMFPRPJVPPOD-UHFFFAOYSA-N	218.178	1.647	0	30	BDAC	
Nc1cc(Br)nc(C=O)c1	66327858	OZADDYPNYCELHL-UHFFFAOYSA-N	201.023	1.239	0	30	BDAC	
C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@H]12	219840023	FBWQLTARTKWGMT-MBXMOIHESA-N	244.287	1.403	0	30	BDAC	
COc1ccc(C(C)=O)c(N)c1C(=O)O	39087122	ZJPUCEFZLDXZEB-UHFFFAOYSA-N	209.201	1.178	0	30	BDAC	
CC(C)[C@H]1OC(=O)/C=C\C(=O)OCC1(C)C	199484047	WSOPJTZQCJHFEB-ISALQUGTSA-N	226.272	1.693	0	30	BDAC	
O=C(O)[C@H]1Cc2c(Cl)cccc2CN1	238659580	VLDJZMKXAZDJMJ-SECBINFHSA-N	211.648	1.439	0	30	BDAC	
CN(C)C(=O)c1cc(N)ccc1C(F)(F)F	709872495	NFCWJCPVAPJRGE-UHFFFAOYSA-N	232.205	1.989	0	30	BDAC	
COC(=O)[C@]1(Cc2ccccc2)CCNC1	261271977	JUTJAQGZKMWHKJ-ZDUSSCGKSA-N	219.284	1.382	0	30	BDAC	
CN1C[C@H](N)C[C@H]2c3cccc4[nH]cc(c34)C[C@H]21	33986341	KGUBZNRUCSWDAU-SCDSUCTJSA-N	241.338	1.839	0	30	BDAC	in-vitro
Cn1nc(-c2ccc(C#N)cc2)cc1C(=O)O	150229663	OHXOCJDTANACLP-UHFFFAOYSA-N	227.223	1.657	0	30	BDAC	
Cc1ccc(N([C@H](C)CO)[C@H](C)CO)cc1	5160583	NUAIBPOSHMRLSK-VXGBXAGGSA-N	223.316	1.563	0	30	BDAC	
COC(CC[C@H](C)C(OC)OC)OC	33605645	JBEZZHPFGNHYEV-QMMMGPOBSA-N	206.282	1.641	0	30	BDAC	
CCc1nc(Br)c(=O)[nH]c1CC	521399247	HGASVKRDPGUCHU-UHFFFAOYSA-N	231.093	1.657	0	30	BDAC	
CC(C)(C)OC(=O)[C@H]1CSCCN1	95883500	SUXHUKREMWJVSY-SSDOTTSWSA-N	203.307	1.033	0	30	BDAC	
Cc1cccc(C)c1NCC(=O)N(C)C	1854087	GITDGRCAOGDHCA-UHFFFAOYSA-N	206.289	1.804	0	30	BDAC	
Cc1nccc(Br)c1C=O	95642354	MMGCKBATBGIKRI-UHFFFAOYSA-N	200.035	1.965	0	30	BDAC	
O[C@@H]1C(=Cc2ccco2)N2CCC1CC2	2265237592	UIORZKKKSRXHFS-LBPRGKRZSA-N	205.257	1.707	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](N)[C@@H]2CC1	250597743	UHQBDBQLFKCXAA-MYJAWHEDSA-N	226.320	1.591	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CC[C@H]2CNC[C@@H]12	97758701	HODGRZURVLFVKM-AEJSXWLSSA-N	226.320	1.509	0	30	BDAC	
COc1ccc(-c2c(C)n[nH]c2N)c(OC)c1	22010012	BAZLUEYMRVPODL-UHFFFAOYSA-N	233.271	1.985	0	30	BDAC	
NC(=O)[C@@H](c1cccnc1)N1CCCCC1	49817298	AFFVBFMPFPCEHM-LLVKDONJSA-N	219.288	1.094	0	30	BDAC	
COC(=O)c1sc(N)nc1[C@H]1CCCO1	260047519	DORZLOFGROLDBM-RXMQYKEDSA-N	228.273	1.363	0	30	BDAC	
O=C(O)c1ccccc1Nc1ccc(=O)[nH]n1	21303389	SUMFTYIAUVYJFM-UHFFFAOYSA-N	231.211	1.212	0	30	BDAC	
CCc1ccc2c(c1)[C@H](CC(=O)O)C(=O)N2	71483312	LMIULERIIXYEMH-VIFPVBQESA-N	219.240	1.759	0	30	BDAC	
COC(=O)C1CC(O)(c2ccc(OC)cc2)C1	72233119	KSPBXPUWJMUONO-UHFFFAOYSA-N	236.267	1.466	0	30	BDAC	
CCOc1ccccc1N(OC)C(C)=O	39099651	ODFRGGMVPAJVDS-UHFFFAOYSA-N	209.245	2.000	0	30	BDAC	
O=C1CCCCN1C[C@H](O)c1ccccc1	48235675	AWWFEZRTDZPWAA-LBPRGKRZSA-N	219.284	1.733	0	30	BDAC	
CC[C@H](C)[C@@H](NC)[C@@H](CC(=O)O)OC	142739472	GHCBYDBRCQYPPL-QXFUBDJGSA-N	203.282	1.110	0	30	BDAC	
OC(O)c1nc2c(Br)cccc2o1	642881834	QEZIQDLLSBKIFL-UHFFFAOYSA-N	244.044	1.574	0	30	BDAC	
O=C(O)[C@@H](O)c1c(F)ccc(F)c1F	2386981	HMTUCCBYVTVVKU-ZETCQYMHSA-N	206.119	1.222	0	30	BDAC	
COc1cccc(N2CCNCC2)c1Cl	21297097	SPPMTVHSYOQZAB-UHFFFAOYSA-N	226.707	1.758	0	30	BDAC	
COc1cccc(NC(=O)C(C#N)=CN(C)C)c1	4072841	RTPOKAGAGUYIAT-UHFFFAOYSA-N	245.282	1.603	0	30	BDAC	
CCOC(=O)NC(=S)NCc1cccs1	2144157	LIWKLEGRUCGPJA-UHFFFAOYSA-N	244.341	1.869	0	30	BDAC	
CN1CCN2C(=O)c3ccccc3[C@@]2(C)C1	39109826	WDCKKTKVRNCUCC-CYBMUJFWSA-N	216.284	1.303	0	30	BDAC	
CC(C)CCCCCOC(=O)C[C@H](O)C(=O)O	223496361	AWWQJVJHZSIYIW-JTQLQIEISA-N	246.303	1.582	0	30	BDAC	
COc1cc(N)ccc1-c1nnc(C)o1	82532268	QWPJLPMUNJVMKB-UHFFFAOYSA-N	205.217	1.636	0	30	BDAC	
OC[C@H]1[C@@H]2C[C@@H](c3ccccc32)[C@@H]1CO	263584221	NANBPTSGJWATPQ-RNJOBUHISA-N	204.269	1.488	0	30	BDAC	
CCOC(=O)[C@@H]1c2ccccc2C(=O)N1C	219529608	QWVYITQVVLBTPI-JTQLQIEISA-N	219.240	1.376	0	30	BDAC	
C[C@H]1CCn2ncc(Br)c2N1	235642891	OGSYRKYAMHTWJK-YFKPBYRVSA-N	216.082	1.850	0	30	BDAC	
CN1CCC[C@H]1[C@@H](O)/C=C/[C@H]1CCCN1C	223729814	GGAHBEJYUPUGJA-BWRSMEIMSA-N	224.348	1.092	0	30	BDAC	
N#CCC(=O)C[C@@H](Cc1ccccc1)C(=O)O	6096590	AQDFTKPHMZIIEF-LLVKDONJSA-N	231.251	1.803	0	30	BDAC	
C[C@](N)(C(N)=O)c1ccc(OC(F)(F)F)cc1	37515005	KRLGWRVFSVPWMC-SECBINFHSA-N	248.204	1.244	0	30	BDAC	
CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC	4344322	MPLDLMYNRCYIIL-DTWKUNHWSA-N	244.335	1.672	0	30	BDAC	
Cc1cnc(Br)c(CN)c1	95631135	ZOTYCNSHHNZGNH-UHFFFAOYSA-N	201.067	1.611	0	30	BDAC	
NCCc1nc2ccccc2n1[C@@H]1CCNC1	75975810	NCSYUJWJZCSRCH-SNVBAGLBSA-N	230.315	1.072	0	30	BDAC	
COc1cc(Br)cc(OC)n1	215570080	ONMRPPNIKCFQJX-UHFFFAOYSA-N	218.050	1.861	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](O)C=C[C@H]21	514269642	KPXPTPJWIDWIMN-IVZWLZJFSA-N	225.288	1.543	0	30	BDAC	
Nc1cc([N+](=O)[O-])c(Cl)cc1C=O	139555704	BDWFFYALNKTYFG-UHFFFAOYSA-N	200.581	1.643	0	30	BDAC	
CCN(CC)C(=O)c1cccc(N)c1O	91365382	BLVQUOPNYJFORB-UHFFFAOYSA-N	208.261	1.456	0	30	BDAC	
Nc1ncnc2[nH]nc(-c3ccccc3)c12	8581881	JPWZTNIDHIJKIS-UHFFFAOYSA-N	211.228	1.602	0	30	BDAC	
COCc1cc(=O)[nH]c(SCC2CC2)n1	18090173	KQVIQXKLVGKKOY-UHFFFAOYSA-N	226.301	1.418	0	30	BDAC	
O=C(O)[C@@H]1C[C@H]1C(=O)Nc1cccc(O)c1	34379120	LGDPMGQENSRRCF-RKDXNWHRSA-N	221.212	1.051	0	30	BDAC	
CCOC(=O)c1cnn2cc(F)cc(F)c12	95642875	MHQFELVZNNGRDV-UHFFFAOYSA-N	226.182	1.789	0	30	BDAC	in-vitro
CC(=O)N/C(=C\C=C\c1ccccc1)C(=O)O	4710211	DHYWMAJIZWBSNP-VQDMZCOGSA-N	231.251	1.804	0	30	BDAC	
CCNc1ccc(NS(C)(=O)=O)cc1	37077103	CIINTKFRIWDBPP-UHFFFAOYSA-N	214.290	1.490	0	30	BDAC	
CCOC(=O)Cc1cccc2c1CNCC2	205052743	DRQFYPQPLKNFKG-UHFFFAOYSA-N	219.284	1.438	0	30	BDAC	
CC(C)(CO)CCNC(=O)OC(C)(C)C	79745875	UFWQGKBJLGTMDW-UHFFFAOYSA-N	217.309	1.920	0	30	BDAC	
CC(C)C[C@H](CN)CC(=O)OCCOC(C)C	88273487	AESNNDOEDQNWKV-LBPRGKRZSA-N	245.363	1.966	0	30	BDAC	
O=C(Cc1ncc2ccnc-2[nH]1)C(F)(F)F	2265347504	LVLKAVQAPVBAFM-UHFFFAOYSA-N	229.161	1.583	0	30	BDAC	
C[C@@H](O)c1c(F)cccc1OCCN(C)C	71372295	NJMYSFPGWUYLAQ-SECBINFHSA-N	227.279	1.819	0	30	BDAC	in-vitro
Cc1cc(CNC[C@H]2CN(C)CCO2)c(C)[nH]1	98113865	DGWCUWZWVLJEOX-ZDUSSCGKSA-N	237.347	1.052	0	30	BDAC	
FC(F)(F)c1ccnc([C@@H]2CCNC2)n1	147380855	BSKVXERQVWIOBC-ZCFIWIBFSA-N	217.194	1.572	0	30	BDAC	
CCOC(=O)C[C@@H]1Cc2ccccc2N1	38879559	SSARPHQMMQWBKD-JTQLQIEISA-N	205.257	1.976	0	30	BDAC	
COCOc1ccc2c(c1)OC[C@H]2CC(=O)O	504202260	XJPKDDQTCPEDDI-MRVPVSSYSA-N	238.239	1.620	0	30	BDAC	
CC(C)(C)OC(=O)N1CSC[C@H]1CC(=O)O	675079750	XEYKRXYTZFFPMY-SSDOTTSWSA-N	247.316	1.771	0	30	BDAC	
CCOC(=O)C[C@@H](CC(C)C)C(=O)O	15042873	SHGGEUYOIOWHJU-MRVPVSSYSA-N	202.250	1.687	0	30	BDAC	
O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1[N+](=O)[O-]	113208063	GABGSSHGUHMTAX-UHFFFAOYSA-N	229.104	1.117	0	30	BDAC	
COC(=O)c1ccc(N2C[C@H](C)N[C@H](C)C2)cc1	84574130	UMLDOXCNVOGXDS-PHIMTYICSA-N	248.326	1.660	0	30	BDAC	
CCOC(=O)c1ccnc(N)c1Cl	407985807	LUKUWZGWPHOUPU-UHFFFAOYSA-N	200.625	1.494	0	30	BDAC	
C[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)NC(N)=O	396136775	ACPDZVZIAYCDIN-CSMHCCOUSA-N	214.265	1.616	0	30	BDAC	
COC(=O)[C@H]1CCC[C@@H](C(=O)O)CC1	757066048	ABJBVSOIDOQQRW-SFYZADRCSA-N	200.234	1.441	0	30	BDAC	
Nc1nscc1I	575462991	VPMRUWUQFREDPC-UHFFFAOYSA-N	226.042	1.330	0	30	BDAC	
CCO[C@]1(OC(C)=O)N=NC(C)(C)O1	39099138	NJSCYEZEGLGJTH-QMMMGPOBSA-N	202.210	1.416	0	30	BDAC	
c1ccc2c(N3CCNCC3)c[nH]c2c1	71479186	VASVHOLFOSSBKT-UHFFFAOYSA-N	201.273	1.578	0	30	BDAC	
CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCSC1	43503784	BOUVNAQZJMDMLE-SNVBAGLBSA-N	247.316	1.471	0	30	BDAC	
O=C(NC[C@@H](O)c1ccccc1)C1CCC1	12340529	ZJKXULNFXXGWOY-GFCCVEGCSA-N	219.284	1.636	0	30	BDAC	
CC1(C)NN=C2COc3ccccc3N21	38342460	WUQCDYJAKJDVJV-UHFFFAOYSA-N	203.245	1.538	0	30	BDAC	in-vitro
CNP(=O)(NC)Oc1ccccc1	2039271	ZKIBFASDNPOJFP-UHFFFAOYSA-N	200.178	1.612	0	30	BDAC	in-vitro
COCOc1cc(C)cc(OCOC)c1	38302118	JBJGMEIQNATBCH-UHFFFAOYSA-N	212.245	1.960	0	30	BDAC	
COc1nc2ccccc2cc1CCN	71495029	DFARTORFJCVDSO-UHFFFAOYSA-N	202.257	1.745	0	30	BDAC	
CCCC[C@H](CC)[C@@H]1OC[C@H](CO)O1	5647205	VNMRSUHVTDURNJ-GARJFASQSA-N	202.294	1.937	0	30	BDAC	
COc1cccc(C2(C(=O)O)CC2)c1OC	75070335	DMPAZTOWECHUTQ-UHFFFAOYSA-N	222.240	1.820	0	30	BDAC	
COC(=O)[C@H]1CCC2(CCCCC2)NC1	146885770	YUDFKQNMWGCORO-JTQLQIEISA-N	211.305	1.862	0	30	BDAC	
COC(=O)c1ncc(Br)cc1C=O	222203199	LDFJUOYJZAKVGM-UHFFFAOYSA-N	244.044	1.443	0	30	BDAC	
Cc1oc2ccccc2c2nn(C)c(=O)c1-2	102057	SPCQDGMTZYYPBJ-UHFFFAOYSA-N	214.224	1.940	0	30	BDAC	
Cc1nc(Br)c(C(=O)O)s1	211532957	HAVZZSAKXFWYIG-UHFFFAOYSA-N	222.063	1.912	0	30	BDAC	
COC(=O)CCc1nnc(C(F)F)o1	536952145	JSVVTQMVICLGDL-UHFFFAOYSA-N	206.148	1.113	0	30	BDAC	in-vitro
CNC[C@@H]1C[C@H](F)CN1Cc1scnc1C	238850446	BRAOFWDNFJKUMG-UWVGGRQHSA-N	243.351	1.583	0	30	BDAC	
C/C=C\C(=O)N(CC)[C@H](CC)C(=O)N(C)C	31297949	LSAMUAYPDHUBQD-ABRRARGCSA-N	226.320	1.278	0	30	BDAC	
Cc1ccc(N2CCC(CCO)CC2)nn1	34422985	GNOCBMYIZNHZLT-UHFFFAOYSA-N	221.304	1.384	0	30	BDAC	
Cc1ncccc1NC(=O)C(F)(F)F	85728734	FZKIFUDRSIEUKF-UHFFFAOYSA-N	204.151	1.891	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N[C@H](CCF)C(=O)O	87775628	DMJQOIJDTJMPEK-ZCFIWIBFSA-N	221.228	1.324	0	30	BDAC	
Cc1ccnc(N/C=C2/CCOC2=O)c1	141440102	AHHRIABFEVBCLX-CLFYSBASSA-N	204.229	1.633	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN2	146782443	VERHYGQTHIOMQC-XHNCKOQMSA-N	212.293	1.262	0	30	BDAC	
CC1=NN(c2ccccc2)C(=O)C1=CN(C)C	81342	ZKMQJGARZNSQNV-UHFFFAOYSA-N	229.283	1.855	0	30	BDAC	
CC1=NOC(=O)/C1=C\C=C\c1c(C)noc1O	31317629	LWFXQWDOVHWDPR-BEHOXYOFSA-N	234.211	1.561	0	30	BDAC	
CCc1nn(C2CCCC2)c(N)c1C(N)=O	145943862	LRTISLQPXYRHER-UHFFFAOYSA-N	222.292	1.242	0	30	BDAC	
Cc1cc(Br)cc(C)[n+]1[O-]	114804301	NGISOMRMYXKGGN-UHFFFAOYSA-N	202.051	1.699	0	30	BDAC	
C[C@H](NC(=O)OCc1ccccc1)[P@H](=O)O	117036086	KHVQOUDIMLMPNA-MRVPVSSYSA-N	243.199	1.726	0	30	BDAC	
COC(=O)[C@H](c1ccccc1)C(C)(C)N	536952582	DZVAMQOLKQTCQX-JTQLQIEISA-N	207.273	1.681	0	30	BDAC	
COC(=O)[C@@H](c1ccccc1)C1CNC1	216206856	UCVCYRMAFCPAGF-NSHDSACASA-N	205.257	1.163	0	30	BDAC	
CCOC(=O)c1cn2ccc(N)cc2n1	261026971	BFZAAQBJAZTUTN-UHFFFAOYSA-N	205.217	1.093	0	30	BDAC	
CC(C)(C)[C@H]1OC(=O)[C@@](C)(CC(=O)O)O1	196074825	GCBUNLHQSIRILB-WCBMZHEXSA-N	216.233	1.165	0	30	BDAC	
CCOC(=O)c1c[nH]n(C2CCCC2)c1=O	212844459	UCEGHQGYNLLDDL-UHFFFAOYSA-N	224.260	1.468	0	30	BDAC	
CCC#CC[C@@H]1C(=O)CC[C@H]1CC(=O)OC	32147060	CZGQTUNUVWDHBM-QWRGUYRKSA-N	222.284	1.948	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@]1(CC(=O)O)CCOC1	307735986	RHPKUNWRXGWCNZ-LLVKDONJSA-N	245.275	1.145	0	30	BDAC	
CN[C@@H]1C[C@H](C)N(c2ccccc2)C1=O	6038047	FSENUEGUYFSISL-GXSJLCMTSA-N	204.273	1.400	0	30	BDAC	
Nc1cc(Cl)c(S(N)(=O)=O)c(Cl)c1	37055124	IRLWHMGMHIJQJP-UHFFFAOYSA-N	241.099	1.223	0	30	BDAC	
CN[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1	76675791	BLSRUKYVCUYXKP-SNVBAGLBSA-N	228.336	1.995	0	30	BDAC	
C[C@@H]1CCN(OCCCN(C)C)C1(C)C	32252586	WHIWBPHLZRJNPI-LLVKDONJSA-N	214.353	1.990	0	30	BDAC	
CCn1cnc2c(N)cc(C(=O)OC)cc21	39102149	IXWOBMGTWQNNMN-UHFFFAOYSA-N	219.244	1.425	0	30	BDAC	
O=C(O)c1cnc(C(=O)O)c(Cl)c1	34113636	JWQUQFHOUMTOFZ-UHFFFAOYSA-N	201.565	1.131	0	30	BDAC	
COC(=O)Cn1ccc2ccc(N)cc21	37222412	ISXUGEHIFOOHIF-UHFFFAOYSA-N	204.229	1.397	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(C[C@@H](F)C(=O)O)C1	585142689	ZGRUYFLGGVTSHQ-MRVPVSSYSA-N	247.266	1.666	0	30	BDAC	
O=C(O)[C@H]1C[C@@H](Cc2ccccc2)CN1	12648284	JQVMMZMKXGQVGQ-GHMZBOCLSA-N	205.257	1.292	0	30	BDAC	
COc1cccc2c1C[C@H](NC(C)=O)CC2	13741582	VDJCYVYVTWEIPD-LLVKDONJSA-N	219.284	1.689	0	30	BDAC	in-vitro
CC[C@H](N)COc1ccc(C(=O)O)cc1	57835108	NQGWGHJZEARFNJ-VIFPVBQESA-N	209.245	1.501	0	30	BDAC	
NS(=O)(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	82863175	LFDIWWQXKBCPHA-WDSKDSINSA-N	231.239	1.396	0	30	BDAC	
CCOC(=O)/C=C/C(=O)OC(C)(C)C	115979184	CZFQVAZEWFKUTC-VOTSOKGWSA-N	200.234	1.447	0	30	BDAC	
C[C@@](O)(CO)COc1ccccc1Cl	6031986	NUUIWQTXXMNXON-SNVBAGLBSA-N	216.664	1.462	0	30	BDAC	
CC(C)[C@@H](CCN)NC(=O)OC(C)(C)C	84396798	TZVDFSBPCDPXQW-SECBINFHSA-N	216.325	1.885	0	30	BDAC	
O=C(O)CN1Cc2ccccc2OC1=O	3622205	MRFMUNPHRJEAPP-UHFFFAOYSA-N	207.185	1.086	0	30	BDAC	in-vitro
COC(=O)Cc1cc(OC)c(N)cc1OC	196584735	KRATWCYNGUMUOV-UHFFFAOYSA-N	225.244	1.002	0	30	BDAC	
NC[C@H](c1nn[nH]n1)C12CC3CC(CC(C3)C1)C2	216938757	YVRJJORZPPLZOE-VBRVDACPSA-N	247.346	1.458	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1C(F)(F)C12CC(N)C2	2265385143	HGQQSPARBNKOJM-DSQUFTABSA-N	248.273	1.636	0	30	BDAC	
COc1cc2c(c(OC)c1OC)CC[C@H]2CN	35569551	AFTIZGHFDCOQFS-QMMMGPOBSA-N	237.299	1.701	0	30	BDAC	in-vivo
CC(C)C[C@@H](COC(N)=O)CC(=O)O	21301354	NTVOVZWMGSQYKT-SSDOTTSWSA-N	203.238	1.219	0	30	BDAC	
CC(C)(C)OC(=O)C1CC2(C1)NCCS2	1535647397	QGKJSZIFSLRRTB-UHFFFAOYSA-N	229.345	1.771	0	30	BDAC	
Oc1ccc(CCNBr)cc1	199054722	OSARNWIHGUMAJE-UHFFFAOYSA-N	216.078	1.834	0	30	BDAC	
C[C@@H](NC(=O)OC(C)(C)C)C1(CN)CC1	696041702	GWFSLWSBNMXKND-MRVPVSSYSA-N	214.309	1.639	0	30	BDAC	
Nc1c(Cl)cc([C@@H](O)C(=O)O)cc1Cl	2021842	PUYRPBRWUYJNTM-SSDOTTSWSA-N	236.054	1.694	0	30	BDAC	
NNc1nc(Cl)ncc1Br	24628842	AMSJZRAXFYZFSC-UHFFFAOYSA-N	223.461	1.178	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCNC1	82327499	SWXKQKRTYYRLEM-WDEREUQCSA-N	240.347	1.995	0	30	BDAC	
COC(=O)[C@H]1Cc2ccccc2N1N=O	39086971	HJKZOFFQRJGDNV-SECBINFHSA-N	206.201	1.272	0	30	BDAC	
O=C(O)[C@]1(C2CCOCC2)CC1(F)F	1536084650	NCHNIUIRMLCYPT-MRVPVSSYSA-N	206.188	1.523	0	30	BDAC	
NN[C@H]1CCCN(C(=O)OCc2ccccc2)C1	73652617	WYLVTYUQHMXSRI-LBPRGKRZSA-N	249.314	1.251	0	30	BDAC	
C[C@H](O)c1c(F)cccc1OCCN(C)C	71372294	NJMYSFPGWUYLAQ-VIFPVBQESA-N	227.279	1.819	0	30	BDAC	in-vitro
Cc1nc(Br)c2n1CCNC2	212095790	PUKRSXILJWDNLM-UHFFFAOYSA-N	216.082	1.057	0	30	BDAC	
O[C@@H]1CCC[C@]2(CCCCOC2)[C@H]1O	226077321	RDXJBUZRCBJWMX-VWYCJHECSA-N	200.278	1.079	0	30	BDAC	
Cc1ccnc(-c2cc(C)cc[n+]2[O-])c1	34100018	VNSKKRAUVGCMPH-UHFFFAOYSA-N	200.241	1.999	0	30	BDAC	in-vitro
C[n+]1ccc(CCc2cc[n+](C)cc2)cc1	163125	RLURTWVANRWRLM-UHFFFAOYSA-N	214.312	1.121	0	30	BDAC	
CC(C)(C)OC(=O)N1[C@H](CN)C[C@@H]2OCC[C@@H]21	757122918	OIMPGVGLMDMDKP-GUBZILKMSA-N	242.319	1.112	0	30	BDAC	
CCOC(=O)C[C@]1(O)CCc2ccccc2C1	52248764	UXBMGCUIXOQESP-AWEZNQCLSA-N	234.295	1.860	0	30	BDAC	
Oc1nc2ccc(-c3ncc[nH]3)cc2[nH]1	407985863	OMTMAPMFAOHOOQ-UHFFFAOYSA-N	200.201	1.659	0	30	BDAC	
CCN(CCOC)Cc1ccc(CNC)cc1	52542768	VEZMMTJJOOSCRB-UHFFFAOYSA-N	236.359	1.874	0	30	BDAC	
CN1CCC[C@@H](c2[nH]nc3c2CCCCN3)C1	3698316	KKSHIJROSMQDAQ-SNVBAGLBSA-N	234.347	1.967	0	30	BDAC	
CCCOc1cc(C(N)=O)ccc1OC	4364606	ABDFQHDKDRCEMD-UHFFFAOYSA-N	209.245	1.583	0	30	BDAC	
CC(C)(C)OC(=O)[C@H](N)C[Si](C)(C)C	700292558	WAXDDQPMCDCJPE-MRVPVSSYSA-N	217.385	1.994	0	30	BDAC	
NNC(=S)[C@@H]1CCCc2ccccc21	103684039	WIAIIRVFYYIMRG-SNVBAGLBSA-N	206.314	1.897	0	30	BDAC	
COC(=O)Cc1ccc2c(O)coc2c1	2265385774	SUZAAOZXXYFQCI-UHFFFAOYSA-N	206.197	1.854	0	30	BDAC	
CNCCOCCN(C)C(=O)OC(C)(C)C	82344400	YOEVQNJUENFAER-UHFFFAOYSA-N	232.324	1.089	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](N)C2	238183785	HKXKHIMUJVZCCB-LPEHRKFASA-N	226.320	1.591	0	30	BDAC	
Clc1nc2cccnc2n2cncc12	34541623	RBCJCRIFWFBXNY-UHFFFAOYSA-N	204.620	1.931	0	30	BDAC	
O[C@H](CF)c1cccc(Br)n1	146714996	ZOBWJUJWJMITSV-ZCFIWIBFSA-N	220.041	1.847	0	30	BDAC	
CC(C)(C)OC(=O)N1[C@H](C(=O)O)CC[C@@H]2C[C@H]21	149931616	OUIBHCFUGWXKHT-HRDYMLBCSA-N	241.287	1.859	0	30	BDAC	
Nc1cnnc(Cl)c1Br	306476201	UZOJBBFOEJTCGP-UHFFFAOYSA-N	208.446	1.475	0	30	BDAC	
CCNCCOc1cccc2c1OCCO2	31622894	NVBOMFYGAUXYPE-UHFFFAOYSA-N	223.272	1.446	0	30	BDAC	
CC1(C)CCc2cccc(S(N)(=O)=O)c2O1	133968226	ISCVFOHJQQIIRE-UHFFFAOYSA-N	241.312	1.438	0	30	BDAC	
Nc1ccc(N2CC3(COC3)C2)c(F)c1	704516469	BUGUCFAEXPALKA-UHFFFAOYSA-N	208.236	1.245	0	30	BDAC	
Cc1nc2n(c1Br)CCN[C@H]2C	98095574	QLQAVGHTJLHJCT-LURJTMIESA-N	230.109	1.618	0	30	BDAC	
CN1CCC(C(=O)O)=C[C@H]1C1CCCC1	259559414	VJUMCUOATFIQMT-NSHDSACASA-N	209.289	1.892	0	30	BDAC	
N=C(NO)[C@@H]1CCC(=O)N(c2ccccc2)C1	536948737	NBQRTMKSARTJAR-SECBINFHSA-N	233.271	1.386	0	30	BDAC	
C[C@H]1CN(C(=O)O)[C@](C)(C(C)(C)C)CN1	220232726	MIBMGMZDYUWUIW-KWQFWETISA-N	214.309	1.763	0	30	BDAC	
OC1=NCCCn2nc(C(F)(F)F)cc21	95756106	BZBUTKNNPMRLBS-UHFFFAOYSA-N	219.166	1.610	0	30	BDAC	
O=C(Nc1ccncc1)[C@@H]1CCCNC1	19411690	ZZQKMYDXRPEVPQ-SECBINFHSA-N	205.261	1.020	0	30	BDAC	
Cc1nc(CO)nc(C)c1Br	584641455	VBBQSCIKLWIPJU-UHFFFAOYSA-N	217.066	1.348	0	30	BDAC	
N=c1nc([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)[nH][nH]1	2265248011	YAOKRNZRTCOYSW-VJTPGPCFSA-N	218.304	1.685	0	30	BDAC	
COC(=O)C1=C[C@](C)(c2ccccc2)OC1=O	21988545	NNGRXHBOOLAXCB-CYBMUJFWSA-N	232.235	1.558	0	30	BDAC	
CN1C(=O)OC2(CCNCC2)c2ccccc21	39381802	LNASWFTUMGUWPM-UHFFFAOYSA-N	232.283	1.852	0	30	BDAC	
N[C@H]1CCN(c2ccccc2OC(F)F)C1=O	49648035	XCEKZXIOKJIYBQ-ZETCQYMHSA-N	242.225	1.352	0	30	BDAC	in-vitro
O[C@@H]1CCCN[C@@H]1CCc1ccccc1	75130772	MEMLNRRWCTXOSH-CHWSQXEVSA-N	205.301	1.732	0	30	BDAC	
CC(=O)c1ccc(N2C(=O)CSCC2=O)cc1	69971	CZUQYBDQWZZSFU-UHFFFAOYSA-N	249.291	1.496	0	30	BDAC	
COCc1cc(O)n(-c2ccccc2)n1	100403107	CEYWBSLLUACCTL-UHFFFAOYSA-N	204.229	1.724	0	30	BDAC	
CCOC(=O)[C@H](N)Cc1ccnc2ccccc12	38805167	MZFIBIOLQOUWQP-GFCCVEGCSA-N	244.294	1.668	0	30	BDAC	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CN	229300925	CUDBAIMCAHHOKR-BDAKNGLRSA-N	214.309	1.591	0	30	BDAC	
CC1(C)CN[C@H]1c1nccn1CC1CC1	536948707	FVOXWCLJSGPPHK-JTQLQIEISA-N	205.305	1.964	0	30	BDAC	
CCOC(=O)c1cc(F)c2c[nH]nc2c1	261260090	FAFDDSVJKYUUHC-UHFFFAOYSA-N	208.192	1.879	0	30	BDAC	
CCOC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OCC	248321649	UXRMRBNLTQHPEU-UKKRHICBSA-N	238.283	1.551	0	30	BDAC	
O=C(Cc1ncon1)Nc1ccc(F)cc1F	90599	VDONOCVUFKTIFW-UHFFFAOYSA-N	239.181	1.529	0	30	BDAC	
CN1C[C@@H]2c3ccc(O)cc3CO[C@H]2C1	39105447	CTHFMBPRVSMBMA-NEPJUHHUSA-N	205.257	1.320	0	30	BDAC	
COc1ccc(C(=O)Nc2ccc(N)nc2)cc1	61680475	NBVHIBAFSOHCLN-UHFFFAOYSA-N	243.266	1.925	0	30	BDAC	in-vitro
CN(C(=O)OC(C)(C)C)[C@H]1CCCN1	32098800	JFFKYXDQBCCTPG-QMMMGPOBSA-N	200.282	1.563	0	30	BDAC	
Cc1[nH]c(=O)n([C@H]2CCCCO2)c(=O)c1Cl	33506268	UWOPKGUIQOULAE-SSDOTTSWSA-N	244.678	1.198	0	30	BDAC	
C[C@H](NCCN1CCNCC1)C1CCCCC1	39170978	ROZHQQLQWGEQJL-ZDUSSCGKSA-N	239.407	1.450	0	30	BDAC	
CN[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1	103016828	DRROTPCCFFMHNX-HAQNSBGRSA-N	234.299	1.663	0	30	BDAC	
O=C(O)[C@@H]1CCCn2c(Br)cnc21	211421211	KUMNIJJSOWWJHW-RXMQYKEDSA-N	245.076	1.608	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)O	238111940	KYHGZORJGSFFSC-HTQZYQBOSA-N	245.275	1.001	0	30	BDAC	
CN(C)CCOc1cc(Cl)ccn1	91362109	PELVVKWJGWRHDW-UHFFFAOYSA-N	200.669	1.675	0	30	BDAC	
CCOC(=O)c1cnn2c(C)ccnc12	197855980	SQDHSLQOVIIGFN-UHFFFAOYSA-N	205.217	1.214	0	30	BDAC	
CCOC(=O)c1cnoc1C(OCC)OCC	328579635	SXQCOQZUDIOQFI-UHFFFAOYSA-N	243.259	1.923	0	30	BDAC	
Cc1cccc(C=NNC(=O)c2csnn2)c1	12955382	CUXOHEUWKLHJRR-UHFFFAOYSA-N	246.295	1.610	0	30	BDAC	
C[C@H]1C[C@@H](NC(=S)NCCO)CC(C)(C)C1	3180566	VLVUHHONVJIBBY-VHSXEESVSA-N	244.404	1.658	0	30	BDAC	
S=C(NCc1ccncc1)NCc1ccco1	72026	OPRRREGJSGSCAA-UHFFFAOYSA-N	247.323	1.839	0	30	BDAC	
CN(C)C(=O)Oc1cc(=O)n(C)c2ccccc12	174457	PSVFFGGDQKKHMC-UHFFFAOYSA-N	246.266	1.599	0	30	BDAC	
COC(=O)[C@H](N)Cc1c(C)cc(C)cc1O	44334166	CLRSZVWSTFJKSE-SNVBAGLBSA-N	223.272	1.052	0	30	BDAC	
COCC[C@@H]1C(=O)CN1C(=O)OC(C)(C)C	328579592	QKYICTFFEZLAHE-MRVPVSSYSA-N	229.276	1.211	0	30	BDAC	
Nc1nc(C(=O)C(F)(F)F)c(C(F)(F)F)[nH]1	44137448	NJILBURPHXWFAQ-UHFFFAOYSA-N	247.098	1.756	0	30	BDAC	
O=S(=O)(O)c1ccccc1Br	6095418	JUSXLWAFYVKNLT-UHFFFAOYSA-N	237.074	1.696	0	30	BDAC	
COCOc1ccc(O)c(C(=O)OC)c1	238359347	QNGCYFFSCUDPJU-UHFFFAOYSA-N	212.201	1.162	0	30	BDAC	
CCOC(=O)[C@]1(N)CCc2ccccc21	37459890	UBJMPCLTXLHGKE-LBPRGKRZSA-N	205.257	1.350	0	30	BDAC	in-vitro
O=Cc1cc2ccc(N3CCC3)cc2oc1=O	1690110811	KBJZERNWJXJRSZ-UHFFFAOYSA-N	229.235	1.816	0	30	BDAC	
COC(=O)c1cnc2cc(O)ccc2c1	115103713	YVDODMUETGCPIY-UHFFFAOYSA-N	203.197	1.727	0	30	BDAC	
C=C(C)C(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2C	396045232	AUHQRTFXZKGZHG-ILAIQSSSSA-N	210.273	1.511	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](N)[C@H]2CC[C@H]21	690292453	STNLXBOEVNCCSZ-KXUCPTDWSA-N	226.320	1.733	0	30	BDAC	
Cc1ccc(N([C@@H](C)CO)[C@@H](C)CO)cc1	5160575	NUAIBPOSHMRLSK-RYUDHWBXSA-N	223.316	1.563	0	30	BDAC	
CCCCOCCOC[C@@H](C)O[C@@H](C)CO	33638057	HJOGMSDBCIAOPG-NWDGAFQWSA-N	234.336	1.606	0	30	BDAC	
CC(C)(C)OC(=O)N1[C@H](O)CC[C@@]1(C)C(=O)O	238790265	FVIXLLCGWUQYDE-HQJQHLMTSA-N	245.275	1.179	0	30	BDAC	
CN(C)c1c(F)cc(C(N)=O)cc1F	138741	LNBSEAKEFCZOKS-UHFFFAOYSA-N	200.188	1.130	0	30	BDAC	
CSC[C@@H](NC(=O)c1ccccc1)C(=O)O	25494910	YOHNCCKDTALPLD-SECBINFHSA-N	239.296	1.233	0	30	BDAC	
Cc1nc(N)cc(NCc2ccccc2)n1	87807766	GHVCHGQODVKUJL-UHFFFAOYSA-N	214.272	1.979	0	30	BDAC	
Cc1cc(CNC[C@@H]2CN(C)CCO2)c(C)[nH]1	98113864	DGWCUWZWVLJEOX-CYBMUJFWSA-N	237.347	1.052	0	30	BDAC	
Cc1ccc(CC(=O)N[C@@H]2CCCNC2)cc1	36925599	INCUZBSIEMZANB-CYBMUJFWSA-N	232.327	1.406	0	30	BDAC	
Oc1cc(O)cc([C@H](O)[C@H]2CCCCN2)c1	39098575	QWTCJQYFPPSBKP-NEPJUHHUSA-N	223.272	1.273	0	30	BDAC	
CS(=O)(=O)Cc1cc(N)ccc1Cl	38063850	RSOFQHQNZJOJJY-UHFFFAOYSA-N	219.693	1.467	0	30	BDAC	in-vitro
Nc1nc2c(Cc3ccsc3)c[nH]c2c(=O)[nH]1	5543	QDPMHXUWMPNTEQ-UHFFFAOYSA-N	246.295	1.486	0	30	BDAC	
CCOC(=O)[C@H]1c2ccccc2C(=O)N1C	219529676	QWVYITQVVLBTPI-SNVBAGLBSA-N	219.240	1.376	0	30	BDAC	
CCOC(=O)/C=C1/CCOC[C@H]1OCC	669371557	GLANOILMFRSBBA-UJICNMFASA-N	214.261	1.301	0	30	BDAC	
Cc1nc2cccc(C)n2c1CC(=O)O	19624114	PJTMACFHNABTTP-UHFFFAOYSA-N	204.229	1.578	0	30	BDAC	
Cc1cc(NC(=O)C[C@@H](C)CC(=O)O)no1	100901	GUPVSSZMOKLSBL-ZCFIWIBFSA-N	226.232	1.422	0	30	BDAC	
O=C(O)/C=C/c1ccccc1C1CNC1	308726673	WURSYWPBBNZBKW-AATRIKPKSA-N	203.241	1.471	0	30	BDAC	
COC(=O)[C@@H]1CCC[C@@H](C(=O)O)CC1	757066037	ABJBVSOIDOQQRW-HTQZYQBOSA-N	200.234	1.441	0	30	BDAC	
Cc1cc(S(N)(=O)=O)cc(C)c1F	84177437	YVWYPSXQDCDDIK-UHFFFAOYSA-N	203.238	1.090	0	30	BDAC	in-vitro
CCOC(=O)CCc1ccc(C(=O)O)cc1	117604265	YBCOJERXUVJAMS-UHFFFAOYSA-N	222.240	1.881	0	30	BDAC	in-vitro
CCOC(=O)[C@H](N)[C@@H](C)c1ccc(O)cc1	260904127	IHTIEUMAABDZSF-GZMMTYOYSA-N	223.272	1.386	0	30	BDAC	
CCOC(=O)CN1CC(=O)Nc2ccccc21	5159488	VDWCBOWYLRLNMN-UHFFFAOYSA-N	234.255	1.008	0	30	BDAC	
CCC(=O)c1cc(C)ccc1OC[C@@H](O)CO	5818761	SVLPMMGDCQBQJS-JTQLQIEISA-N	238.283	1.320	0	30	BDAC	
CCOc1ccc(F)cc1OCCO	34462987	PAHPDZOMSRNTKC-UHFFFAOYSA-N	200.209	1.596	0	30	BDAC	
CCn1nc(OC)c(C)c1C1CCNCC1	39102467	CXGWWRIMDXVVLZ-UHFFFAOYSA-N	223.320	1.687	0	30	BDAC	
NC[C@@H](O)c1cccc(F)c1Br	84526527	PZRPRTJKIOFVMI-SSDOTTSWSA-N	234.068	1.580	0	30	BDAC	
O=C(O)C1(c2cccnc2Br)CC1	95642371	PAOGJHITKISNEL-UHFFFAOYSA-N	242.072	1.960	0	30	BDAC	
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)N	238357137	SIDVGRIVHQRPIH-KOLCDFICSA-N	207.273	1.366	0	30	BDAC	
Cc1ncc(I)cn1	95803753	OXGGZGCUKUBTLA-UHFFFAOYSA-N	220.013	1.390	0	30	BDAC	
c1cc(OCCOc2ccncc2)ccn1	38548871	RRCWJXNJBQORGX-UHFFFAOYSA-N	216.240	1.934	0	30	BDAC	
COc1ccc2c(Br)n[nH]c2n1	95628721	VVYXJFXKZRVIFP-UHFFFAOYSA-N	228.049	1.729	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2C=C(CO)C[C@@H]2C1	146397185	ADHDVDLJRWCKEL-GHMZBOCLSA-N	239.315	1.792	0	30	BDAC	
C/C=C/C[C@H](NC(=O)OC(C)(C)C)C(=O)O	34546616	ZKNUNOYJLHQVGB-GJIOHYHPSA-N	229.276	1.931	0	30	BDAC	
C[C@@H](C(=O)O)c1cn(C)nc1C(F)F	1536142497	MRILFWNOJDZIGS-SCSAIBSYSA-N	204.176	1.546	0	30	BDAC	
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CN	84237638	VPXZKRWMVPGJEQ-NXEZZACHSA-N	228.336	1.838	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@]2(CN)C[C@H]12	83323413	GINXHIFJXMDZAH-JOYOIKCWSA-N	226.320	1.735	0	30	BDAC	
CC(=O)C[C@@H](C)NC(=O)OC(C)(C)C	35822707	LINWYTPTURMUAO-SSDOTTSWSA-N	201.266	1.879	0	30	BDAC	in-vitro
CCOC(=O)C(F)(F)[C@@H]1CCC(=O)C1	82164221	RFZZLLYZIMHVAC-ZCFIWIBFSA-N	206.188	1.554	0	30	BDAC	in-vitro
CCOC[C@H](O)CN1CCSC(C)(C)C1	83690376	DTUGLVIHMWXHAT-SNVBAGLBSA-N	233.377	1.211	0	30	BDAC	
CC(C)(C)OC(=O)C(C)(C)n1cc(N)cn1	407986225	RBQOONYMPVKWHT-UHFFFAOYSA-N	225.292	1.542	0	30	BDAC	
O=C1NCCC(=O)c2c1[nH]c1ccccc21	27149	VGMHRBJIXQCKPX-UHFFFAOYSA-N	214.224	1.484	0	30	BDAC	in-vitro
COCc1nc(-c2ccccn2)[nH]c(=O)c1C	18156120	RDMXHFPISUDSKC-UHFFFAOYSA-N	231.255	1.287	0	30	BDAC	
CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1	33650411	UUTBHLBAOBZVBU-TXEJJXNPSA-N	231.299	1.000	0	30	BDAC	
Cc1nc(-c2ccccn2)n2nnnc2c1Cl	74690	XOVYQPJXNYAWEC-UHFFFAOYSA-N	246.661	1.543	0	30	BDAC	
CC(C)Oc1ccc([C@](C)(N)C(N)=O)cc1	37460049	UVMLBGUOUBEZRE-LBPRGKRZSA-N	222.288	1.133	0	30	BDAC	
O=Cc1c(O)cncc1Br	95773902	VQNVVZZYCGELRF-UHFFFAOYSA-N	202.007	1.362	0	30	BDAC	
COC(=O)O[C@H](C(=O)OC)c1ccco1	38647337	MDSSZZXFPUYYPR-ZETCQYMHSA-N	214.173	1.277	0	30	BDAC	
CCCCNC(=O)CC[C@@H](C)NC(=O)CCC	33884941	ZTQOIIBCRDNYKC-LLVKDONJSA-N	242.363	1.988	0	30	BDAC	
COC[C@@]1(CN)CCCN1C(=O)OC(C)(C)C	238853228	IRXUXKIPLKNYOK-LBPRGKRZSA-N	244.335	1.361	0	30	BDAC	
Cc1nc(N)c2c(Br)[nH]nc2n1	216322809	UHLHQIZPZAMWAZ-UHFFFAOYSA-N	228.053	1.006	0	30	BDAC	
CN=[S@](C)(=O)c1ccc(C(=O)O)cc1	521399865	WBRKDISQTZIBGW-CQSZACIVSA-N	213.258	1.471	0	30	BDAC	
CCOC(=O)[C@H](C(C)=O)[C@H]1CCCC1=O	584879910	SWKXEGKWOQENLT-WCBMZHEXSA-N	212.245	1.124	0	30	BDAC	
CCOC(=O)[C@H]1CNc2cc(OC)ccc2O1	34521984	MSUMZAJAXGNAJK-LLVKDONJSA-N	237.255	1.431	0	30	BDAC	
COC1=NCCN(C(=O)OC(C)(C)C)CC1	141056978	DKFURCHJUGEXEO-UHFFFAOYSA-N	228.292	1.672	0	30	BDAC	
CCOC(=O)c1cccc(CC2OCCO2)c1	95934123	GWVKSJQGCRGSTB-UHFFFAOYSA-N	236.267	1.779	0	30	BDAC	
COC(=O)C(C)(Br)Br	23508799	OGRACAVRFYYZQA-UHFFFAOYSA-N	245.898	1.665	0	30	BDAC	
C[C@@H]1C[C@H](C(=O)O)[C@@H](C(=O)O)C[C@H]1C	248159430	NSVFQYRNBOFQMT-NGJRWZKOSA-N	200.234	1.454	0	30	BDAC	
CCCOc1ccc(NCC(=O)N(C)C)cc1	1851853	SUHBHRAQTHZDBU-UHFFFAOYSA-N	236.315	1.976	0	30	BDAC	
O=C(c1ccccc1)[C@](O)(CO)c1ccccc1	5849445	AOGNACZDZNOTSN-HNNXBMFYSA-N	242.274	1.749	0	30	BDAC	
COC1=C[C@H]2[C@@H](C(=O)C1=O)[C@H]1C=C[C@H]2C1	100250420	CZIFRTCXMXHDPP-OORONAJNSA-N	204.225	1.107	0	30	BDAC	
CN1CCC2(CC1)CNCc1ccccc12	105052854	DTSIKRKXTOMFRO-UHFFFAOYSA-N	216.328	1.753	0	30	BDAC	
CC1(C)O[C@@H]2C(Cl)=C[C@H]3O[C@H]3[C@@H]2O1	139116026	SBVWNWXSJQTTFJ-WCTZXXKLSA-N	202.637	1.410	0	30	BDAC	
Cc1nn(CC2CCNCC2)c(C)c1C	43497863	QBJCQJZHPVMDLU-UHFFFAOYSA-N	207.321	1.808	0	30	BDAC	
COc1ccc(OC)c(C(=O)[C@@H](C)N)c1	58327370	VSMILISQVUOHED-SSDOTTSWSA-N	209.245	1.234	0	30	BDAC	
CC(C)(C)OC(=O)N1CCc2c(N)cncc2C1	145297818	CTGBUCWESOMBHM-UHFFFAOYSA-N	249.314	1.957	0	30	BDAC	
CCOC(=O)[C@]1(F)CNC[C@]1(C)C(F)(F)F	709740761	BNEDUBQKGUCOIP-JGVFFNPUSA-N	243.200	1.430	0	30	BDAC	
CC(C)(C)O[C@@H]1CC(=O)C12CCOCC2	642882212	CNPITUSKLNDUOR-SNVBAGLBSA-N	212.289	1.940	0	30	BDAC	
C[C@H]1CN=C2c3ccccc3NC(=O)N21	39105055	RYIWWMZZPBEFON-ZETCQYMHSA-N	201.229	1.683	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2CC[C@]21C(=O)O	307459989	AVQWMFPNWOIVFJ-PRHODGIISA-N	241.287	1.861	0	30	BDAC	
CCCCOCCOC[C@@H](C)O[C@H](C)CO	33638061	HJOGMSDBCIAOPG-VXGBXAGGSA-N	234.336	1.606	0	30	BDAC	
CC(=O)CSc1nnc(C(F)(F)F)n1C	3126366	OMOVPKOQRUVHLJ-UHFFFAOYSA-N	239.222	1.515	0	30	BDAC	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(N)=O	8197737	ZXLNERXKXKBCJS-YUMQZZPRSA-N	230.308	1.411	0	30	BDAC	
[O-][n+]1ccc(Br)cc1Cl	150204280	YCVOSXRGWFJPDI-UHFFFAOYSA-N	208.442	1.736	0	30	BDAC	
C=CC(=O)OC[C@@H]1CCCN2CCCC[C@@H]12	16028388	AFHWXJWAWBDGFQ-RYUDHWBXSA-N	223.316	1.980	0	30	BDAC	
CC(C)(C)OC(=O)C[C@H]1C[C@@H](C(=O)O)C1	263619607	ZNUHNXJFVFZURM-OCAPTIKFSA-N	214.261	1.829	0	30	BDAC	in-vitro
CC1(C)CC(N)CC(C)(C)S1(=O)=O	2265385333	JYVJPIVQMHBNSI-UHFFFAOYSA-N	205.323	1.080	0	30	BDAC	
O=C(O)Cc1cnc(C(F)(F)F)s1	236423672	CIOMOXXJBRIEHS-UHFFFAOYSA-N	211.164	1.789	0	30	BDAC	
CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2S(=O)(=O)O	4212305	LKTRVKICUSKZGA-MHYGZLNHSA-N	232.301	1.268	0	30	BDAC	biogenic,in-vitro
CCO[C@@H]1C[C@H](N)[C@@H]1Oc1ccccc1	95883804	JRKQERSGLFDFAY-TUAOUCFPSA-N	207.273	1.570	0	30	BDAC	
c1ccc(CN2CC[C@@H]3CCN[C@H]32)cc1	307158820	BLJHUEHDYDJFMY-STQMWFEESA-N	202.301	1.828	0	30	BDAC	
COc1ccc(OC)c2c(=O)[nH]c(C)nc12	45817655	YYQQGKJTEOQXHT-UHFFFAOYSA-N	220.228	1.249	0	30	BDAC	
CN1C(=O)C[C@H](c2ccc(F)cc2)C1=O	146463412	GMTIORMWSHWVKS-SECBINFHSA-N	207.204	1.298	0	30	BDAC	
O=C(O)C1(CN2CCCOCC2)CCCC1	61934971	WLGAEOIQFKAWPK-UHFFFAOYSA-N	227.304	1.354	0	30	BDAC	
OC1([C@H]2CCCN2)Cc2ccccc2C1	69842233	APGOZZJUJJGCGF-GFCCVEGCSA-N	203.285	1.268	0	30	BDAC	
Nc1c(OCC(=O)O)ccc2ccccc12	33608766	YUDGWDNZKSVTHL-UHFFFAOYSA-N	217.224	1.885	0	30	BDAC	
CC(=O)NC[C@H](CC(=O)O)CC(C)C	36437232	PJFBZFUFUXGFPK-VIFPVBQESA-N	201.266	1.260	0	30	BDAC	
Oc1ccc(O)c2c1[C@@H](O)c1ccccc1[C@@H]2O	33506401	ZIKKFAGENVKXRO-KBPBESRZSA-N	244.246	1.575	0	30	BDAC	
CN(C)C=CC(=O)c1cccc(C#N)c1	12340109	SLKQIWXTDLZLPZ-UHFFFAOYSA-N	200.241	1.816	0	30	BDAC	
CC[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)O	250244350	NZFXXUSVMTWINN-AXTSPUMRSA-N	225.288	1.402	0	30	BDAC	
FC(F)n1cnc(I)c1	958717007	GFQSUKXZIUXKFY-UHFFFAOYSA-N	243.982	1.883	0	30	BDAC	
CCOC(=O)c1nnc2c(C)c(C)ccn12	381378597	JUTXURVWBNRRQA-UHFFFAOYSA-N	219.244	1.523	0	30	BDAC	
Cc1nc(Cl)c2c(Cl)n[nH]c2n1	299889866	PYKWWIBNUJXJGB-UHFFFAOYSA-N	203.032	1.968	0	30	BDAC	
OCc1cnn(CCc2ccc3c(c2)CCO3)c1	88106325	DEVCNGGOHXOESR-UHFFFAOYSA-N	244.294	1.553	0	30	BDAC	
O=C(O)/C=C/C(=O)OCc1ccccc1	6096379	QKUGKZFASYQCGO-VOTSOKGWSA-N	206.197	1.371	0	30	BDAC	
CNC[C@@H](O)c1ccc(Br)cc1	32015860	QGGFPJXPRUNQJX-SECBINFHSA-N	230.105	1.702	0	30	BDAC	in-vitro
Cn1nnc(I)c1Cl	2265385600	OONCOGIZXMLVOM-UHFFFAOYSA-N	243.435	1.073	0	30	BDAC	
O=C1CCc2cc(-n3ccnc3)ccc2N1	13450008	BDMKPUAZENLRDY-UHFFFAOYSA-N	213.240	1.757	0	30	BDAC	in-vivo
COC(=O)[C@H](C)c1ccc2c(c1)OCO2	21993534	ZUFFHFHJHSEHJI-SSDOTTSWSA-N	208.213	1.692	0	30	BDAC	
CC1(OCC(F)(F)C(F)(F)F)COC1	39110195	OTROUVGPYCZIIJ-UHFFFAOYSA-N	220.137	1.990	0	30	BDAC	
Cc1c(C(=O)O)oc2ccccc2c1=O	34412600	YZQIPYSOPIFMPL-UHFFFAOYSA-N	204.181	1.800	0	30	BDAC	
O=C(O)c1nnc(-c2ccc(Cl)cc2)[nH]1	82326760	AYHGBKJIRPYZSN-UHFFFAOYSA-N	223.619	1.823	0	30	BDAC	
COC(=O)[C@@H]1CCCN1Cc1ccco1	14989065	SDPWLPVYRUPJTL-JTQLQIEISA-N	209.245	1.417	0	30	BDAC	
COC(=O)[C@@H](CN)c1ccc(Cl)cc1	57496946	OFTXIFNBTWHKFG-VIFPVBQESA-N	213.664	1.555	0	30	BDAC	
COC(=O)c1cccc2cc(O)cnc12	113625577	LFXVDSOQRJVXTC-UHFFFAOYSA-N	203.197	1.727	0	30	BDAC	
C[C@@H]1CNC[C@H]1CCNC(=O)OC(C)(C)C	147615027	LWHMXZHAXMXJDX-NXEZZACHSA-N	228.336	1.757	0	30	BDAC	
CCO[C@H]1C[C@@H]2COC(=O)CC[C@@H]2O1	39098948	HOTVEPWTYXMOGA-KHQFGBGNSA-N	200.234	1.091	0	30	BDAC	
CCOC(=O)c1csc(-c2cnccn2)n1	109120	SGYICFHCFSJGJR-UHFFFAOYSA-N	235.268	1.777	0	30	BDAC	
CC(C)(C)c1cc2n(n1)CCCNC2=O	238135601	VPUWUEFBOKUMHT-UHFFFAOYSA-N	207.277	1.314	0	30	BDAC	
C[C@@H](O)c1cnc(C2OCCO2)s1	98209704	PXVWXEREDOFYIK-RXMQYKEDSA-N	201.247	1.242	0	30	BDAC	in-vitro
O=C(O)c1cccc2ncc(Br)n12	89201788	IRIVHQSMRGGEQO-UHFFFAOYSA-N	241.044	1.795	0	30	BDAC	
CCOC(=O)Cc1cc(C)[nH]c1C(=O)OCC	174184	WIZOCPIKLRHRGE-UHFFFAOYSA-N	239.271	1.605	0	30	BDAC	
C[C@H]1COCCO[C@@H]1OC1CCCC1	39112772	JFZALTRCHCCLHY-GXSJLCMTSA-N	200.278	1.955	0	30	BDAC	
COC(=O)c1cccc(CCCC(=O)O)c1	1535711399	INFIXQSGYNZKJD-UHFFFAOYSA-N	222.240	1.881	0	30	BDAC	
NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1	11632337	JAUUSDGWHWVEGZ-LLVKDONJSA-N	226.707	1.504	0	30	BDAC	
COc1cccc(C(=O)C(F)(F)F)n1	91362347	JVODJUPRDFVPOW-UHFFFAOYSA-N	205.135	1.835	0	30	BDAC	in-vitro
NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1	685939345	ZDELQBOOSXFRBU-UHFFFAOYSA-N	245.244	1.970	0	30	BDAC	
O=C1OCCc2cc(Br)cnc21	202059265	GQVBFHHWUUNFMU-UHFFFAOYSA-N	228.045	1.557	0	30	BDAC	
CN1C(=N)NC(=O)C1=Cc1ccc(F)cc1	2265233850	AHUGKSXWZCATKY-UHFFFAOYSA-N	219.219	1.163	0	30	BDAC	
CNS(=O)(=O)[C@H](c1ccccc1)C(C)C	669375869	XLBJNONNGDNDHM-NSHDSACASA-N	227.329	1.933	0	30	BDAC	
COc1cc(N)ccc1N1CCN(C(C)C)CC1	139666703	MNBZTWHGWMYITR-UHFFFAOYSA-N	249.358	1.808	0	30	BDAC	
CCOC(=O)c1ncc(C(=O)O)s1	114031524	QJFUSYNFWLGJIO-UHFFFAOYSA-N	201.203	1.018	0	30	BDAC	in-vitro
Cc1cccc(N([C@@H](C)CO)[C@H](C)CO)c1	5161088	JNTBFQGTGSKVPY-TXEJJXNPSA-N	223.316	1.563	0	30	BDAC	
CC1=N[C@H]2C=C(Br)C=CN2C1	306448598	XDETZGBMNIARKX-MRVPVSSYSA-N	213.078	1.895	0	30	BDAC	
COC(=O)c1nsc(Br)n1	213508960	URLIKVADRQFSFG-UHFFFAOYSA-N	223.051	1.087	0	30	BDAC	
Oc1cccc(N2CC[C@@H](O)C2)c1Cl	145536923	SXOZZVSGGDJHNG-SSDOTTSWSA-N	213.664	1.617	0	30	BDAC	
CO[C@H]1CCN2[C@@H]3C=CC4=CC(=O)O[C@@]4(C3)[C@@H]2C1	102210242	YKLWRYOORWTCQQ-OWTLIXCDSA-N	247.294	1.030	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H](N)c1ccccn1	238094587	QKGGNWIELBOAGY-VIFPVBQESA-N	208.261	1.423	0	30	BDAC	
FC1(F)[C@@H]2CNC[C@@]2(Cl)C1(F)F	584883265	PARHJRQLCVJPPY-DMTCNVIQSA-N	203.566	1.468	0	30	BDAC	
CCc1cc(O)ccc1S(=O)(=O)O	39100744	LZYWKLOVPAKBHU-UHFFFAOYSA-N	202.231	1.201	0	30	BDAC	
CC(C)(C)[C@@H](N)C(=O)NCc1ccccc1	72114791	VCKOJWNPRZBZKV-NSHDSACASA-N	220.316	1.676	0	30	BDAC	
C[C@@H](O)C(F)(F)C(F)(F)Br	139865506	YFBPZFMOKSFFLT-UWTATZPHSA-N	224.979	1.990	0	30	BDAC	
CS(=O)(=O)Nc1ccc(C2(N)CC2)cc1	95938262	NYZVOPUEAAPSKW-UHFFFAOYSA-N	226.301	1.006	0	30	BDAC	
COC(=O)[C@H](N)c1ccc(F)c(F)c1	37459764	OYIZGPZUAMNZMB-MRVPVSSYSA-N	201.172	1.138	0	30	BDAC	in-vitro
CCCOC(=O)c1ccc(Cl)nn1	21304742	TYWAMYLZKSDDKD-UHFFFAOYSA-N	200.625	1.697	0	30	BDAC	
CN1CCC(N2CCCC[C@H]2C(=O)O)CC1	73999013	FRFHGSFKSJQOMO-NSHDSACASA-N	226.320	1.020	0	30	BDAC	
O=C(O)C1(C(=O)OCc2ccccc2)CC1	88260400	SKAZSQXMPWQQHX-UHFFFAOYSA-N	220.224	1.595	0	30	BDAC	
Cc1ccc(CN2CC[C@@H](N)C2=O)cc1	49647714	UMSFRZDUTOFNMX-LLVKDONJSA-N	204.273	1.055	0	30	BDAC	in-vitro
Nc1ccc(CCCc2ncco2)nc1	204343456	CDZVQXNTALLHGF-UHFFFAOYSA-N	203.245	1.827	0	30	BDAC	
C[C@]12CNC[C@H]1CN(Cc1ccccc1)C2	575564121	AESYNSJGQAAOOB-UONOGXRCSA-N	216.328	1.728	0	30	BDAC	
C=C[C@H](N[C@@H](C(=O)O)c1ccccc1)C(=O)OC	38611077	XPHXXNDGPZIYJP-WDEREUQCSA-N	249.266	1.130	0	30	BDAC	
CN(Cc1ccc(F)c(F)c1)[C@@H]1CCNC1	70892460	YJPFOGFGEYEZMM-SNVBAGLBSA-N	226.270	1.759	0	30	BDAC	
COC(=O)[C@H](N)CCOCc1ccccc1	44327914	VFZYHEFAZGQLQV-LLVKDONJSA-N	223.272	1.094	0	30	BDAC	
O=C(O)[C@H]1CCO[C@H](c2ccccc2)O1	90677712	AWRXHWTXLRTSEO-KOLCDFICSA-N	208.213	1.575	0	30	BDAC	in-vitro
CCOC(=O)c1nc2ccc(Cl)cn2c1N	36222242	JBKBWUOGNSXSMZ-UHFFFAOYSA-N	239.662	1.747	0	30	BDAC	
CC(C)(C)OC(=O)[C@H]1CC12CCNCC2	312756998	IIFCETPARNFUOW-SECBINFHSA-N	211.305	1.718	0	30	BDAC	
COC(=O)c1ncc2ccccc2c1N	131883502	YAAFULIRFRWYKV-UHFFFAOYSA-N	202.213	1.604	0	30	BDAC	
Brc1cc(N2CCCC2)cnn1	146974455	HBLOQWNGZRELPN-UHFFFAOYSA-N	228.093	1.839	0	30	BDAC	
O=C1Nc2ccc(Cl)cc2N[C@]12CCOC2	98210215	PVXFMSZRBBDWKH-NSHDSACASA-N	238.674	1.863	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@](CN)(CF)C1	107263889	ODQPLGBUTNTIAZ-LLVKDONJSA-N	232.299	1.542	0	30	BDAC	
FC(F)Oc1cccc(N2CCNCC2)c1	43461395	BYCOSSYLDOXDNE-UHFFFAOYSA-N	228.242	1.698	0	30	BDAC	in-vitro
COC(=O)Cc1cccc(Br)c1N	88190198	PFMGLBVDLXKIQW-UHFFFAOYSA-N	244.088	1.747	0	30	BDAC	
N[C@H]1CCS(=O)(=O)c2ccc(F)cc21	20437195	HYHVAEXXWQPWPF-QMMMGPOBSA-N	215.249	1.003	0	30	BDAC	
COC(=O)C[C@]1(CN)CCOc2ccccc21	97430577	YIZGHGRZBKTYPV-ZDUSSCGKSA-N	235.283	1.229	0	30	BDAC	
O=C(O)C[C@]1(O)CCOc2ccccc21	52248862	ZFTBXFHLSSELGM-LLVKDONJSA-N	208.213	1.131	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2	685945606	FAYATNZNPIOEGX-BXKDBHETSA-N	226.320	1.653	0	30	BDAC	
NS(=O)(=O)Cc1ccc(C(F)F)cc1F	2265384530	PVSQYFZODFDICF-UHFFFAOYSA-N	239.218	1.552	0	30	BDAC	
N[C@H](Cc1cc(Cl)cnc1Cl)C(=O)O	238591067	GDIYOHWPOXSNLN-ZCFIWIBFSA-N	235.070	1.343	0	30	BDAC	
CC(C)(C)OC(=O)NCC[C@@H](N)C(F)(F)F	299805584	VZUYEEAIRVVMFO-ZCFIWIBFSA-N	242.241	1.791	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CN[C@@]2(CCOC2)C1	1554770677	FGTAOVRUTRYISO-CABZTGNLSA-N	242.319	1.032	0	30	BDAC	
CCOC(=O)[C@H]1C[C@@H](C)CSC1=N	197903556	DVGQVFNQOYLCLG-RQJHMYQMSA-N	201.291	1.916	0	30	BDAC	
O=C(N1OC2CCC1CC2)C(F)(F)F	39055518	LDSKRNRMSKFULH-UHFFFAOYSA-N	209.167	1.634	0	30	BDAC	
CC[C@H]1CC(=O)CN1C(=O)OC(C)(C)C	238287128	NVFCMLLJIQPRFV-QMMMGPOBSA-N	213.277	1.975	0	30	BDAC	
COc1cc(C(=O)C(F)(F)F)ccn1	95761228	BAFNPPAJJPJTGP-UHFFFAOYSA-N	205.135	1.835	0	30	BDAC	
Cc1n[nH]c(C)c1Sc1ncccn1	123533	GBGOOSIJAQSWSU-UHFFFAOYSA-N	206.274	1.968	0	30	BDAC	
NNc1ccc(Br)c(C(=O)O)c1	123884515	DFJCKNRTRUXHGJ-UHFFFAOYSA-N	231.049	1.433	0	30	BDAC	
CC(=O)N[C@H](C(C)=O)c1ccccc1F	139285347	AWFWQFVIIBYOKY-LLVKDONJSA-N	209.220	1.592	0	30	BDAC	in-vitro
COCCN[C@@H]1CCCc2cccnc21	85789435	UNCJGJLUHGURAE-LLVKDONJSA-N	206.289	1.695	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)C12CC(C(=O)O)(C1)[C@H]2F	2265384506	MUOBKNKKUSHNCH-BQZWYMRFSA-N	230.235	1.531	0	30	BDAC	
COCCc1nnc(-c2cccc(C(=O)O)c2)o1	95347595	UMRQRZYJVCNJTC-UHFFFAOYSA-N	248.238	1.624	0	30	BDAC	in-vitro
Cc1nn(C)c2oc(=O)c(Cl)c(C)c12	91589	NCHVDTPVKXZSTL-UHFFFAOYSA-N	212.636	1.797	0	30	BDAC	
O=C(O)C[C@@]1(O)CCOc2ccccc21	52248863	ZFTBXFHLSSELGM-NSHDSACASA-N	208.213	1.131	0	30	BDAC	
N[C@@H](CCO)C12CC3CC(CC(C3)C1)C2	82917716	UKLLGFBFAZHYMR-RFMXUXEOSA-N	209.333	1.913	0	30	BDAC	
CC(C)COC(=O)CC(=O)OCC(C)C	33506806	SWBJZPDGKVYSLT-UHFFFAOYSA-N	216.277	1.775	0	30	BDAC	
CN(C(=O)OC(C)(C)C)c1ncc(C=O)cn1	95761151	UIPPKWUQUNEURE-UHFFFAOYSA-N	237.259	1.660	0	30	BDAC	
FC(F)(F)c1nccc(-c2ncccn2)n1	72190592	SWQLOTHZQWFOQR-UHFFFAOYSA-N	226.161	1.952	0	30	BDAC	
COC(=O)c1nc([C@@H]2CCCN2)sc1C	98210038	RYRSPEAPFSAOAT-ZETCQYMHSA-N	226.301	1.663	0	30	BDAC	in-vitro
Cc1nc(-c2cccnc2)n2nnnc2c1Cl	74689	LAKZZKZPSBVHKO-UHFFFAOYSA-N	246.661	1.543	0	30	BDAC	
COC(=O)[C@@H](N)C[C@@H]1CCCc2ccccc21	69553454	FMDYADPUIXUSMM-AAEUAGOBSA-N	233.311	1.997	0	30	BDAC	in-vitro
COC(=O)[C@](C)(O)COc1cc(F)cc(F)c1	80196834	FKLUWLMIPMNILG-LLVKDONJSA-N	246.209	1.268	0	30	BDAC	in-vitro
Nc1cccc(S(=O)(=O)c2ccccc2)c1N	112949010	TYUYDYOQXHKYDG-UHFFFAOYSA-N	248.307	1.684	0	30	BDAC	
O=C(O)[C@@H]1C[C@H]1c1cccc2c[nH]nc12	1535652779	SFBWUYBGSSHYNL-DTWKUNHWSA-N	202.213	1.751	0	30	BDAC	
Cn1c(=O)cc(Cl)n(-c2ccccc2)c1=O	21987753	DKGXIVRSAKPDHF-UHFFFAOYSA-N	236.658	1.190	0	30	BDAC	
COC(=O)N1CCc2ccccc2CC1	22005257	DNRSEGGLDQZRHP-UHFFFAOYSA-N	205.257	1.854	0	30	BDAC	
COC(=O)CCc1ccc2c(c1)CCO2	95883619	KVSVEASORIFESS-UHFFFAOYSA-N	206.241	1.727	0	30	BDAC	in-vitro
Oc1cccc(N2CCC[C@@H]2O)c1Cl	144427968	PCSFDTDZWYTDAH-VIFPVBQESA-N	213.664	1.964	0	30	BDAC	
C[C@H]1CN(C(=O)c2cccc(CN)c2)CCO1	19282366	SZQJRVSQWKXAJJ-JTQLQIEISA-N	234.299	1.006	0	30	BDAC	
Nc1cnn(CC(=O)Nc2ccccc2)c1	19810620	GSBWTENEHYZYDG-UHFFFAOYSA-N	216.244	1.104	0	30	BDAC	
C1CCC(NCCCN2CCOCC2)CC1	20141897	ACRBCUUGDPGLEQ-UHFFFAOYSA-N	226.364	1.631	0	30	BDAC	
CC(C)NC[C@H](O)COc1ccccc1O	33505729	BBBJVUYZNPTHJG-JTQLQIEISA-N	225.288	1.130	0	30	BDAC	
CC(=O)C[C@@H](C(C)=O)[C@H](O)c1ccco1	33607739	LACIYQDZSCPPHT-ONGXEEELSA-N	210.229	1.497	0	30	BDAC	
CC(=O)Cn1cc(Cl)c(=O)c(Cl)c1	76925	YUQCBILJXSAZBB-UHFFFAOYSA-N	220.055	1.744	0	30	BDAC	
CN[C@H]1CCC[C@H]1COC(=O)N(C)C	3825737	PMJASLJMTKKYSZ-IUCAKERBSA-N	200.282	1.073	0	30	BDAC	
CO[C@@H]1CN(Cc2ccccc2)C[C@H]1OC	21984492	OBIZVDKPKSFVQY-CHWSQXEVSA-N	221.300	1.532	0	30	BDAC	
COC(=O)c1cc(C(=O)O)ccc1Cl	75852227	WXVJDWMXAVMQPO-UHFFFAOYSA-N	214.604	1.825	0	30	BDAC	
COCCCOC[C@H](C)OCCCOC	223501614	QZSNERBSZLXZSS-NSHDSACASA-N	220.309	1.481	0	30	BDAC	
Brc1ccc(C2COC2)nc1	238000662	SQJRYUXDOHOIPY-UHFFFAOYSA-N	214.062	1.958	0	30	BDAC	
COC(=O)[C@@H](C)c1cc(OC)cc(OC)c1	87124254	BQFXALGXQCIAAU-QMMMGPOBSA-N	224.256	1.980	0	30	BDAC	
Nc1ccc(-c2cccc(N)c2N)cc1N	201382572	XMKUAYQVPQTZIA-UHFFFAOYSA-N	214.272	1.682	0	30	BDAC	
CNCc1cccc(-c2ccn(C)n2)c1	12370663	QTPPVJGJXALONT-UHFFFAOYSA-N	201.273	1.807	0	30	BDAC	in-vitro
NNCc1c(F)c(F)c(F)c(F)c1F	220465815	KLYFKJKPUDOTND-UHFFFAOYSA-N	212.121	1.345	0	30	BDAC	
C=CC(=O)O[C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2	231920686	DKDKCSYKDZNMMA-QZHINBJYSA-N	222.284	1.799	0	30	BDAC	in-vitro
COc1ccccc1[C@@](N)(C(=O)O)C(F)(F)F	69548770	JDRNLANXXYVLHB-SECBINFHSA-N	249.188	1.496	0	30	BDAC	in-vitro
CCOC(=O)C[C@H]1CCOC[C@H]1OCC	259619351	HTXQFDSQCCUSSI-NXEZZACHSA-N	216.277	1.381	0	30	BDAC	
Cc1cc2n(n1)C[C@H](C(F)(F)F)CN2	19408147	YUQAVILCPARHDM-ZCFIWIBFSA-N	205.183	1.796	0	30	BDAC	
C[C@@]12CCC(=O)C[C@@H]1CCC21OCCO1	39149547	ASPJLFLVEGLAPQ-GXSJLCMTSA-N	210.273	1.899	0	30	BDAC	
CNC(=O)c1cnn(C2CCCCC2)c1	98009593	MKRPQZCYAWRSMW-UHFFFAOYSA-N	207.277	1.748	0	30	BDAC	
Cc1cc(=O)nc2n([C@H](C)C3CC3)[nH]cc1-2	136122013	JSAABXKDQFUFJO-MRVPVSSYSA-N	217.272	1.956	0	30	BDAC	
CN(C)CCOc1nnc(NO)c2ccccc12	5689032	GWPPGFBGXMICEH-UHFFFAOYSA-N	248.286	1.371	0	30	BDAC	in-man
COc1cc(C(C)=O)ccc1CN1CCOCC1	20414007	WIFRSMAUOLMLTC-UHFFFAOYSA-N	249.310	1.730	0	30	BDAC	
Cn1c([C@@H]2CCCN2)nc2c1CCCC2	49813292	NQXKRAODFBYQRD-JTQLQIEISA-N	205.305	1.723	0	30	BDAC	
O=C(O)c1ccnc(-c2ccccn2)n1	54792812	VZBROCOXUAOFMU-UHFFFAOYSA-N	201.185	1.237	0	30	BDAC	
CC(C)C[C@H](NC(=O)CC(F)(F)F)C(=O)O	22145667	BXNBAZJAKYKNIE-LURJTMIESA-N	241.209	1.554	0	30	BDAC	
CC(C)(C)OC(=O)[C@@]1(C(=O)O)CC1(C)C	521398937	SBBWYOZYXPWSHZ-NSHDSACASA-N	214.261	1.829	0	30	BDAC	
CCN(CC)C(=O)[C@]1(CC)CCCNC1	62851664	LOLXKXQWUHCARV-GFCCVEGCSA-N	212.337	1.635	0	30	BDAC	
Cc1ccc([C@](C)(CC(=O)O)C(=O)O)cc1	82290136	QYZDEBOZYXFIMP-LBPRGKRZSA-N	222.240	1.812	0	30	BDAC	
CC(C)(C)OC(=O)NCc1ncccc1CN	201447132	YZZBBOFJLVQKOP-UHFFFAOYSA-N	237.303	1.565	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CN	223263434	AMKQULRTFZIKRO-HTQZYQBOSA-N	200.282	1.248	0	30	BDAC	
CC(C)(C)OC(=O)[C@H](N)c1ccccn1	238098841	QKGGNWIELBOAGY-SECBINFHSA-N	208.261	1.423	0	30	BDAC	
COc1nn(-c2cccc(C)c2)c(C)cc1=O	33893760	WZIZDVRQFINPRS-UHFFFAOYSA-N	230.267	1.858	0	30	BDAC	
O=C1C[C@H]2C[C@@H]1C[C@]2(O)c1ccccc1	114501474	TZZFIUBLIIFZRY-XWIASGKRSA-N	202.253	1.873	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CNC[C@@H]1CF	83259205	ZXGCINTUKGZONR-YUMQZZPRSA-N	218.272	1.069	0	30	BDAC	
Cc1cc(I)ccc1NN	90613162	BCTUYVACDFZUFZ-UHFFFAOYSA-N	248.067	1.885	0	30	BDAC	
COc1ccc(C(F)(F)C(=O)O)nc1	306823625	QYFZFRMIKQDWKV-UHFFFAOYSA-N	203.144	1.267	0	30	BDAC	
O=C(O)c1nc(Cl)ncc1Br	72338650	ASACTXZHBMRYEX-UHFFFAOYSA-N	237.440	1.591	0	30	BDAC	
COc1cc(N2CCOC(C)(C)C2)ccc1N	82164293	MKORQHDZQJCFMT-UHFFFAOYSA-N	236.315	1.893	0	30	BDAC	in-vitro
Cc1cc(C)c(NC(=S)NN)c(C)c1	97173	DOOQDTFTYNPBSG-UHFFFAOYSA-N	209.318	1.772	0	30	BDAC	
O=C(O)[C@@H](O)Cc1cccc(C(F)(F)F)c1	76164167	UEGQUJSMWNGHKS-QMMMGPOBSA-N	234.173	1.693	0	30	BDAC	
COC(=O)[C@@H](C)C(=O)Cc1ccccn1	43502464	LYVIVSUHQUKZNV-QMMMGPOBSA-N	207.229	1.002	0	30	BDAC	
CC(=O)c1cc(Br)ncc1O	95642476	PQJJPTARULSWAN-UHFFFAOYSA-N	216.034	1.752	0	30	BDAC	in-vitro
CCOC(=O)c1cc([Si](C)(C)C)on1	195922247	RHJJRGMMFYOGJV-UHFFFAOYSA-N	213.309	1.397	0	30	BDAC	in-vitro
CC(C)[C@@H]1OC(=O)/C=C\C(=O)OCC1(C)C	199484061	WSOPJTZQCJHFEB-GZTOBOFZSA-N	226.272	1.693	0	30	BDAC	
O[C@@H]1COc2ccc(Br)cc21	84150620	QKYZCEGIXWRWLB-SSDOTTSWSA-N	215.046	1.875	0	30	BDAC	
NOCc1ccc(Br)cc1	19733270	YTBXSBIQXOHSRA-UHFFFAOYSA-N	202.051	1.839	0	30	BDAC	
NCC(=O)N[C@H]1CCCc2ccccc21	35179186	VWRYNRSSLOECQK-NSHDSACASA-N	204.273	1.139	0	30	BDAC	
CCc1ccc(-n2nnnc2S)cc1	99589	FNCSNLQCFJUJJX-UHFFFAOYSA-N	206.274	1.513	0	30	BDAC	
COC(=O)[C@H]1CC[C@@H](CC(=O)O)CC1	112992585	SHLPPMPWQCJVLR-ZKCHVHJHSA-N	200.234	1.441	0	30	BDAC	
CCNCCCN(CC)CCCNCC	31351905	WGMLAJNLNAEBAH-UHFFFAOYSA-N	215.385	1.308	0	30	BDAC	
CCc1ccc2c(c1)[C@@H](N)CS(=O)(=O)C2	39102564	CSRROTGMWCHJJY-NSHDSACASA-N	225.313	1.177	0	30	BDAC	
CN(C)[S@](=O)c1nc2ccccc2s1	5965246	FAMTXHDRBMBNAJ-AWEZNQCLSA-N	226.326	1.881	0	30	BDAC	
COC(=O)c1cc(OC)c(OCF)c(OC)c1	15042075	TVSFNIXJPOCZKG-UHFFFAOYSA-N	244.218	1.796	0	30	BDAC	
O=S(=O)(O)Cc1ccc(Cl)cc1	39617110	VYOCAQNWUMDGNH-UHFFFAOYSA-N	206.650	1.728	0	30	BDAC	
COC(=O)[C@@H]1CCN[C@H](C(F)(F)F)C1	107469857	HANQCLPESNCXRF-RITPCOANSA-N	211.183	1.090	0	30	BDAC	
Nc1nc(N)c2cccc(C(F)(F)F)c2n1	34478416	YPYGGVLOGCJLKW-UHFFFAOYSA-N	228.177	1.813	0	30	BDAC	
CCOC(=O)[C@@H]1C[C@]1(CC)CCCO	39100636	OUBXOBPUTXVVRG-ONGXEEELSA-N	200.278	1.738	0	30	BDAC	
N#Cc1cnc(CCCCC(=O)O)nc1	39121016	KGUDCWUPQKNBAW-UHFFFAOYSA-N	205.217	1.146	0	30	BDAC	
CCOC(=O)c1cnc(N)cc1Cl	95635375	ZRWKGNHWBXGHDF-UHFFFAOYSA-N	200.625	1.494	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)C1(CN)CCOCC1	117674018	ZWVAIIHLJHYVSB-UHFFFAOYSA-N	215.293	1.084	0	30	BDAC	
C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCNC2)O1	669371691	QEFGLKSVHNKOKI-HIFRSBDPSA-N	246.354	1.639	0	30	BDAC	
COC(=O)[C@@](C)(O)COc1cc(F)cc(F)c1	80196838	FKLUWLMIPMNILG-NSHDSACASA-N	246.209	1.268	0	30	BDAC	in-vitro
C[S@](=O)c1ncc(-c2ccc(F)cc2)nn1	216291545	CCILMPOJHQJYKU-INIZCTEOSA-N	237.259	1.415	0	30	BDAC	
CC1(C)CC(C(=O)O)CC(C)(C)S1(=O)=O	2265383662	MKDBXTYIFIARBC-UHFFFAOYSA-N	234.317	1.453	0	30	BDAC	
O=c1[nH]c(C2CC2)nc2c1CSCC2	13467794	CLKYVIXIGHMFGP-UHFFFAOYSA-N	208.286	1.437	0	30	BDAC	
CO[C@](C)(COCc1ccccc1)C(=O)O	699372799	VVGMQGJZFTVIPG-GFCCVEGCSA-N	224.256	1.693	0	30	BDAC	
COc1cc(/C=C(\C)C(=O)O)ccc1O	22011261	YHOAZFMXZXWRHC-FNORWQNLSA-N	208.213	1.889	0	30	BDAC	
Cc1cc(C)nc(N2CCC(O)CC2)n1	24053710	JFVVUTHALOPGMS-UHFFFAOYSA-N	207.277	1.055	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H](CCO)C(F)(F)F	219317433	TZWCTEOOFZIQRY-ZCFIWIBFSA-N	243.225	1.824	0	30	BDAC	
COC(=O)[C@]1(c2cccc(Cl)c2)CCNC1	260536240	LRWPIPRIYXEVCG-GFCCVEGCSA-N	239.702	1.744	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]2[C@@H]1CN	258224822	LYNFEJDBRSBOFH-AEJSXWLSSA-N	226.320	1.591	0	30	BDAC	
CC(C)(C)OC(=O)N1C=C[C@@H]2[C@@H](C(=O)O)[C@@H]21	34431968	VSOMEOPUXKXGFO-BWZBUEFSSA-N	225.244	1.450	0	30	BDAC	
Cn1cc([C@@H](N)Cc2ccc(F)cc2)cn1	34957663	VGRMKHIHZFMJAM-LBPRGKRZSA-N	219.263	1.802	0	30	BDAC	
CCOc1cc(C(C)=O)c(N)cc1OC	34626535	JKSXBLIVKGXQPE-UHFFFAOYSA-N	209.245	1.879	0	30	BDAC	
O=C1Nc2ccccc2OC12CCOCC2	221964030	NKZGQFJJNNSKRI-UHFFFAOYSA-N	219.240	1.567	0	30	BDAC	
Cn1cc(-c2ncccc2C(=O)O)cn1	238511586	DBANKNFDGUJCOD-UHFFFAOYSA-N	203.201	1.180	0	30	BDAC	
COC(=O)c1ccc(OC)c2cncn12	238396716	VWIIMZDQGHBDTN-UHFFFAOYSA-N	206.201	1.130	0	30	BDAC	
c1ccc(CN2CCO[C@]3(CCCNC3)C2)cc1	96964510	PGOTXYBEAXIJQP-HNNXBMFYSA-N	246.354	1.641	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](=O)O)C1	223456583	YHWNBULKELOOGQ-MRVPVSSYSA-N	249.332	1.608	0	30	BDAC	
OCCSc1nnc(-c2cccnc2)o1	6251500	QPXDQNKLPUWSFY-UHFFFAOYSA-N	223.257	1.216	0	30	BDAC	
O=C(OCc1cccnc1)c1cccnc1	13208874	HXKJAMCJBQWDKE-UHFFFAOYSA-N	214.224	1.834	0	30	BDAC	
O=C(Nc1cocn1)OCC(F)(F)F	72266674	XHGFLJIRRDBAKL-UHFFFAOYSA-N	210.111	1.785	0	30	BDAC	in-vitro
CN(C)C(=O)Sc1ccc(CO)cc1	95829328	BJDCSCRQKJHFAE-UHFFFAOYSA-N	211.286	1.953	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N[C@H](CO)CC1CC1	150084447	RFVQRCOBBCPFEL-VIFPVBQESA-N	215.293	1.672	0	30	BDAC	
c1ncc(-c2ccnc(C3CCNCC3)n2)cn1	584879930	WTEPUCMHRNDFOX-UHFFFAOYSA-N	241.298	1.401	0	30	BDAC	
Cc1ccc(F)cc1NC(=O)/C=C\C(=O)O	4709425	LZIKPFZVSVKRET-PLNGDYQASA-N	223.203	1.713	0	30	BDAC	
CC(=O)Nc1cc(-c2ccncc2)c[nH]c1=O	5114191	QJXRAYQFXMRDHL-UHFFFAOYSA-N	229.239	1.395	0	30	BDAC	
COc1ccccc1-c1cc(CO)[nH]n1	41212573	IXIODNUPYPVUBO-UHFFFAOYSA-N	204.229	1.578	0	30	BDAC	in-vitro
N=C(N)NN=Cc1ccccc1Br	2043576	AVXKQDSMHJFZGZ-UHFFFAOYSA-N	241.092	1.266	0	30	BDAC	
O=C1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H]1O	39269818	ZXTFPDUHMAZCKF-MNOVXSKESA-N	231.251	1.196	0	30	BDAC	
CCN(CC)c1ccc(N)c(C(=O)O)c1	58013955	MTZDEWXZPFEMCM-UHFFFAOYSA-N	208.261	1.813	0	30	BDAC	
O=C1NC(=O)[C@H](c2ccc3ccccc3c2)N1	45202079	HLGCUXIRWKRNJF-NSHDSACASA-N	226.235	1.720	0	30	BDAC	
CC(C)C(=O)N1CCCC12CCNCC2	257666213	HHBMSXPUMCGMML-UHFFFAOYSA-N	210.321	1.387	0	30	BDAC	
CC(C)(C)O[C@@H]1C[C@H](N)[C@H]1n1cccn1	299805450	OPUNPWADWNJUEF-IVZWLZJFSA-N	209.293	1.339	0	30	BDAC	
O=C(O)C12CC(C1)[C@H](c1ccccc1)O2	2265383532	ACCFWSYSSAQQEG-YZRBJQDESA-N	204.225	1.991	0	30	BDAC	
COC(=O)[C@@H]1[C@@H](CN)[C@H]1c1ccccc1	257901096	VSYSIAIKMCNUTM-HBNTYKKESA-N	205.257	1.148	0	30	BDAC	
NC(=O)c1cc2ccccc2cc1C(N)=O	389858	OABIEOPOGPOCJL-UHFFFAOYSA-N	214.224	1.038	0	30	BDAC	
COc1c[n+]([O-])ccc1Br	216668100	AIOZJRAMISIBGM-UHFFFAOYSA-N	204.023	1.091	0	30	BDAC	
CO[C@@H]1C=C(Br)[C@H](OC)O1	38313018	RUBCKABMZZZEAK-NTSWFWBYSA-N	209.039	1.240	0	30	BDAC	
COC(=O)[C@H]1Cc2cccc(Cl)c2C1=O	514287088	HHPWBKHHXIDMEX-ZETCQYMHSA-N	224.643	1.868	0	30	BDAC	in-vitro
CCCCCCNC(=O)NCCCC(=O)O	2144213	RYCKGBOWZMJJNQ-UHFFFAOYSA-N	230.308	1.731	0	30	BDAC	
CCCNS(=O)(=O)C=Cc1ccccc1	6481671	XZBIJUUPQUTJNW-UHFFFAOYSA-N	225.313	1.987	0	30	BDAC	
Oc1cccc(N2CC[C@H](O)C2)c1Cl	145537122	SXOZZVSGGDJHNG-ZETCQYMHSA-N	213.664	1.617	0	30	BDAC	
C=CC(=O)N[C@](C)(C(=O)O)c1ccccc1	34156453	MAEZLHVBLMEDJB-LBPRGKRZSA-N	219.240	1.289	0	30	BDAC	
NCCCC(=O)c1ccc2c(c1)OCO2	75484148	WWNDGJYIEUTBJA-UHFFFAOYSA-N	207.229	1.337	0	30	BDAC	
O=C(O)[C@@H]1CCCC[C@@H]1N1CCCC1=O	82919538	QNOVAEWJQCXCEE-BDAKNGLRSA-N	211.261	1.252	0	30	BDAC	
COC(=O)c1cc2cccc(N)c2cn1	384248736	KIJRKEGNWWLZEG-UHFFFAOYSA-N	202.213	1.604	0	30	BDAC	
CCCCOCCO[C@@H](C)COC[C@@H](C)O	33638043	ZENPKPOPTRKSMJ-NEPJUHHUSA-N	234.336	1.606	0	30	BDAC	
Clc1ccc(O[C@H]2CCCNC2)nc1	51872870	WLCBORVYRFBJOS-VIFPVBQESA-N	212.680	1.866	0	30	BDAC	
O=C(O)CCCCCCC[C@@H](O)C(=O)O	5113158	LPIOYESQKJFWPQ-MRVPVSSYSA-N	218.249	1.247	0	30	BDAC	endogenous,in-man
Nc1n[nH]c2nc(Br)ccc12	238614011	VPJOHTPDOPQINJ-UHFFFAOYSA-N	213.038	1.303	0	30	BDAC	in-vitro
Brc1ccc([C@@H]2COCCN2)cn1	95692968	RMTHREWRDFQBCR-QMMMGPOBSA-N	243.104	1.505	0	30	BDAC	
CCCCC[C@H](CC)OCCCNC(=O)CO	96331654	SGWLJZWNTHPTLG-LBPRGKRZSA-N	245.363	1.861	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]1(C)O	200995825	LEGONGASYNNKAJ-LDYMZIIASA-N	215.293	1.815	0	30	BDAC	
CCOC(=O)Cc1c(C(=O)O)c(C)cn1C	5855980	YVNJDVHARWCERO-UHFFFAOYSA-N	225.244	1.137	0	30	BDAC	
COc1cc2c(c(OC)c1)CC[C@@H](C(=O)O)C2	14723301	ZYAGTPJVIITYKE-MRVPVSSYSA-N	236.267	1.893	0	30	BDAC	
COC(=O)c1ccc(Cn2cc(O)cn2)cc1	885163358	JKEGDVIKLUHVDE-UHFFFAOYSA-N	232.239	1.424	0	30	BDAC	
Cn1ncc(C(=O)O)c1CCC(F)(F)F	1536106479	IBCIAZAVMZMPRE-UHFFFAOYSA-N	222.166	1.613	0	30	BDAC	
NC(=S)c1cc2ccccc2nc1N	70601821	VIYUCMJLNGWFGK-UHFFFAOYSA-N	203.270	1.451	0	30	BDAC	
COC(COc1ccccc1C=O)OC	72230692	LAGNMMFIIZYAAU-UHFFFAOYSA-N	210.229	1.497	0	30	BDAC	
Nc1nc2c(Br)ccnc2o1	238605184	DZKZIAPEDZBXTC-UHFFFAOYSA-N	214.022	1.568	0	30	BDAC	
CCOC(=O)c1c(Cl)ccnc1OC	238300478	GQZWNNNSIOOACN-UHFFFAOYSA-N	215.636	1.920	0	30	BDAC	
CC(C)OCCOC(=O)c1ccccc1O	5760860	KFBPVHFUHYKWIF-UHFFFAOYSA-N	224.256	1.974	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](O)C=C[C@@H]21	514269641	KPXPTPJWIDWIMN-GUBZILKMSA-N	225.288	1.543	0	30	BDAC	
CCOC(=O)[C@H]1CCC(=O)N[C@H]1C(F)(F)F	261133989	MXJOFEDTZYZRAR-CAHLUQPWSA-N	239.193	1.007	0	30	BDAC	
c1ccc(-c2nc3c(o2)CCNC3)cc1	83283412	ZRZOIXIKABLZIN-UHFFFAOYSA-N	200.241	1.987	0	30	BDAC	
CC[S@](=O)C(=O)N1CCCCCC1	5955724	AQZLABPGWGSAER-CYBMUJFWSA-N	203.307	1.751	0	30	BDAC	
CCOc1cccc(N2C(=O)C=CC2=O)c1	5980547	BSSMMICETVXSFV-UHFFFAOYSA-N	217.224	1.515	0	30	BDAC	
NS(=O)(=O)c1cccc2c1CCCC2	36667009	YLIZJJSJRQYWRV-UHFFFAOYSA-N	211.286	1.213	0	30	BDAC	
COC(=O)c1ncc2ccccc2c1C(=O)OC	2265384493	LTJGFMPZFIXWNB-UHFFFAOYSA-N	245.234	1.808	0	30	BDAC	
COc1cccc(Cc2cnc(N)nc2N)c1	5115792	VJSZGADWCZOKOK-UHFFFAOYSA-N	230.271	1.240	0	30	BDAC	
COC(=O)c1cc(N)c(SC)s1	39085237	OCZVKOORAJXYLD-UHFFFAOYSA-N	203.288	1.839	0	30	BDAC	
O=C(NCC1(CO)CC1)OCc1ccccc1	49461720	VNOBACPLPRWLDD-UHFFFAOYSA-N	235.283	1.685	0	30	BDAC	in-vitro
CC(C)OCCn1c(CCN)nc2ccccc21	110948851	SLFIQIVGPOGAAH-UHFFFAOYSA-N	247.342	1.963	0	30	BDAC	
CCOC(=O)c1ccccc1CSC(=N)N	12367884	RCYFXRTUQFVLAD-UHFFFAOYSA-N	238.312	1.990	0	30	BDAC	
CC1(C)CN(CCN)c2ccccc2O1	41581082	XVMAOVDQLWBJGG-UHFFFAOYSA-N	206.289	1.623	0	30	BDAC	
CN1C(=O)C[C@H](N)[C@H]1c1ccc(F)c(F)c1	69797791	BBCYIDHKKXBMSZ-GXSJLCMTSA-N	226.226	1.195	0	30	BDAC	in-vitro
C1CCN(Cc2noc3c2CCN3)CC1	3704135	FRFVILBTKGWJPA-UHFFFAOYSA-N	207.277	1.629	0	30	BDAC	
COc1ncc(Cl)cc1[S@](=O)O	1535370253	CSFLZOBWRRLRQT-UHFFFAOYSA-N	207.638	1.324	0	30	BDAC	
CC1(C)C[C@@H](CN)c2ccc(O)cc2O1	214822612	YTSUVZXZRWTSAF-QMMMGPOBSA-N	207.273	1.996	0	30	BDAC	
CN1CCN(Cc2ccc(CN)cc2)C1=O	52885468	HQAYHEOETJXJQI-UHFFFAOYSA-N	219.288	1.013	0	30	BDAC	
OC1CN(c2ccc(Br)cn2)C1	70917011	GVBCECQUXJWZEI-UHFFFAOYSA-N	229.077	1.025	0	30	BDAC	in-vitro
Cn1nc(C(F)(F)F)c(Br)c1O	101640628	FFYHUZANEIFNKX-UHFFFAOYSA-N	244.998	1.907	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)O	198785411	GXDXGJPVXCCWKQ-YUMQZZPRSA-N	229.276	1.622	0	30	BDAC	
OCc1ncc(Br)n1C(F)(F)F	2265385122	DIUWZPHVFVNXAU-UHFFFAOYSA-N	244.998	1.614	0	30	BDAC	
CC1=CC(=O)N(c2ccc(F)cc2)C1=O	102224	CXYSJIIRJSNRJG-UHFFFAOYSA-N	205.188	1.645	0	30	BDAC	
Cc1ccccc1C(=O)Nc1nnc(CO)s1	365548	IIAZFYLLOHMTSS-UHFFFAOYSA-N	249.295	1.591	0	30	BDAC	
CC1(C)O[C@@H]2C(=O)C=C[C@@](C)(F)[C@@H]2O1	39115527	YZCVSTNGJHRUTC-NQMVMOMDSA-N	200.209	1.374	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1C[C@H](N)C12CCC2	390822214	VDLQWFAVDYRRGW-IUCAKERBSA-N	226.320	1.781	0	30	BDAC	
NC[C@@H]1CCCC[C@H]1Cc1noc(O)n1	90608916	AUUWFLGYTLJQOV-YUMQZZPRSA-N	211.265	1.083	0	30	BDAC	
C/C=C/CO[C@@H]1NC(=O)N[C@H]1OC/C=C/C	95776949	DZLBWVZPOJJFOH-AYRDZAOQSA-N	226.276	1.137	0	30	BDAC	
NC[C@@H](C[C@H](O)c1ccc(Cl)cc1)C(=O)O	6093259	TWCFJIPRJZKMBG-SCZZXKLOSA-N	243.690	1.423	0	30	BDAC	
COC(=O)C1CCN(Cc2cccnc2)CC1	54917951	JGSXGVYEFXXESV-UHFFFAOYSA-N	234.299	1.467	0	30	BDAC	
c1ccc2sc([C@H]3COCCN3)nc2c1	83016962	HTRYLKRMWMMOGW-SECBINFHSA-N	220.297	1.957	0	30	BDAC	
CC1(C)CNC[C@H](COc2ccccc2)O1	238853400	JQGXNISTJBQAFH-GFCCVEGCSA-N	221.300	1.832	0	30	BDAC	in-vitro
CC(=O)N[C@@H]1CCC(=O)c2ccccc21	39376281	YULURBVSUMMOKE-LLVKDONJSA-N	203.241	1.840	0	30	BDAC	
CCN(C)C(=O)OC[C@H]1CCCCN1	86229853	GMCXPAMZGGPINZ-SECBINFHSA-N	200.282	1.217	0	30	BDAC	
COC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)OC	5977596	DRIHIJXHHLHRAL-UWVGGRQHSA-N	226.272	1.695	0	30	BDAC	
CCOC1(OCC)CCN(C)[C@H](C)C1	39099010	MFBRNSXIMLHTEI-SNVBAGLBSA-N	201.310	1.870	0	30	BDAC	
NCc1nc(Cl)ccc1Br	95630932	YTHRNMAFBYGWGU-UHFFFAOYSA-N	221.485	1.956	0	30	BDAC	
Cc1nccc(=O)n1-c1ccccc1F	33891349	QWIZBSBIOVSMMA-UHFFFAOYSA-N	204.204	1.680	0	30	BDAC	
COC(=O)c1nnn2c(Cl)cccc12	95635231	FFSOSHSUHAYNCU-UHFFFAOYSA-N	211.608	1.169	0	30	BDAC	
O[C@H](Cc1ccccc1)C1=CCCOC1	5933652	RQCMEGSOOZSUIE-CYBMUJFWSA-N	204.269	1.937	0	30	BDAC	
CCOC(=O)c1cnc2nc(N)sc2c1	257964419	HGLAWSVNBBWRBK-UHFFFAOYSA-N	223.257	1.450	0	30	BDAC	
O=C(O)[C@H]1CCO[C@@H](c2ccccc2)O1	35328572	AWRXHWTXLRTSEO-MWLCHTKSSA-N	208.213	1.575	0	30	BDAC	in-vitro
COC(=O)[C@H](N)Cc1cc2ccccc2o1	44327128	DZFXJPYKTCXAQW-SNVBAGLBSA-N	219.240	1.476	0	30	BDAC	
Cn1cc([C@@H](O)CNCc2ccccc2)cn1	238854109	MUAUFOGZUXVGBD-ZDUSSCGKSA-N	231.299	1.243	0	30	BDAC	in-vitro
COc1ccc([C@@H](C)N)cc1Cn1cccn1	37642510	FJEZKUSODUTIEB-SNVBAGLBSA-N	231.299	1.960	0	30	BDAC	
Nc1nc(Cl)cc(Cl)c1C(=O)O	224770854	YWMSCKNECPYDLX-UHFFFAOYSA-N	207.016	1.669	0	30	BDAC	
c1cc(CN2CCCC2)c2nn[nH]c2c1	95934319	CWCPPFXYMYNRKN-UHFFFAOYSA-N	202.261	1.554	0	30	BDAC	
CNC[C@@H](O)COc1ccc(C)c(C)c1	19864660	KHWHIJCHKORAQQ-LLVKDONJSA-N	209.289	1.263	0	30	BDAC	
COC(=O)c1cnn2ccc(OC)cc12	28866222	FFJPXVSQELKEAA-UHFFFAOYSA-N	206.201	1.130	0	30	BDAC	
CCOC(=O)c1cc2nc[nH]c2cc1N	45800810	ACQRNOQGBGDKLR-UHFFFAOYSA-N	205.217	1.322	0	30	BDAC	
NC(=O)C(=O)c1ccc(Cl)cc1Cl	33610993	KZURMKZAGBRHQM-UHFFFAOYSA-N	218.039	1.661	0	30	BDAC	
OC[C@H](O)Oc1ccc(Cl)cc1Cl	33867981	HMJHOMSWBBBOJV-MRVPVSSYSA-N	223.055	1.683	0	30	BDAC	
O=C1NCCc2[nH]c3c(F)cccc3c21	34724020	LGZNWWUSMJZYTQ-UHFFFAOYSA-N	204.204	1.593	0	30	BDAC	
COC(=O)c1cc2cnnc(Cl)c2[nH]1	84312587	UXSYWFRKIDBTEG-UHFFFAOYSA-N	211.608	1.398	0	30	BDAC	
COC(=O)Cc1cc(O)cc(O)c1C(C)=O	34561656	MDYCUZHBCOPWJQ-UHFFFAOYSA-N	224.212	1.016	0	30	BDAC	
Cc1ccc(COc2cc[nH]c(=N)n2)nc1	2265356070	IVIYVYARMRFWOS-UHFFFAOYSA-N	216.244	1.172	0	30	BDAC	
CCOC(=O)[C@@H]1Nc2ccccc2N=C1O	6870117	MEANTYGGCOIVHC-SECBINFHSA-N	220.228	1.632	0	30	BDAC	
Cc1ccc(S(=O)(=O)N[C@@H]2C=CCC2)cc1	39121755	KFHANGVDOOPYBY-LLVKDONJSA-N	237.324	1.992	0	30	BDAC	
O=c1[nH]c2cc(Cl)c(Cl)nc2[nH]1	33846978	ITKBBOLEUZVKAE-UHFFFAOYSA-N	204.016	1.558	0	30	BDAC	
C[C@H](NC(=O)OC(C)(C)C)C1CNC1	117747748	SJCHHKIVUCVQNJ-ZETCQYMHSA-N	200.282	1.119	0	30	BDAC	
COC(=O)c1cc(F)c(N)c(Cl)c1	95830516	LUXZMCXFCPKYLM-UHFFFAOYSA-N	203.600	1.848	0	30	BDAC	
CC(C)(C)OC(=O)N1CC/C(=C/CO)C1	202812422	QMCZPPCIJMJYRD-UITAMQMPSA-N	213.277	1.546	0	30	BDAC	
N[C@H]1CCCC[C@@H]1Nc1ccc(Cl)nn1	38050635	CTYHBTBZMATMLT-YUMQZZPRSA-N	226.711	1.812	0	30	BDAC	
COC(=O)[C@@H](N)Cc1cc(Cl)ccc1F	84035154	YQQNBNRRPNLWMG-VIFPVBQESA-N	231.654	1.522	0	30	BDAC	
Cc1ccc(-c2cc3n(n2)CCNC3=O)cc1	229012675	OJKQINLJAIYMCL-UHFFFAOYSA-N	227.267	1.602	0	30	BDAC	
CCOC(=O)C[C@H]1CCOC[C@@H]1OCC	259619359	HTXQFDSQCCUSSI-ZJUUUORDSA-N	216.277	1.381	0	30	BDAC	
Cc1ccc2c(c1)NC(O)=NS2(=O)=O	39236220	RLILHXWAPZBTAW-UHFFFAOYSA-N	212.230	1.023	0	30	BDAC	
C/C=C/C(=O)Nc1cccc(OC(=O)NC)c1	2017856	XDUPUIUISDIOAT-HWKANZROSA-N	234.255	1.919	0	30	BDAC	
CCc1ccc(Cn2nnc(C(=O)O)c2C)cc1	50215212	QOWLSJFXOKZDFB-UHFFFAOYSA-N	245.282	1.895	0	30	BDAC	
CCOC(=O)c1ncn(-c2cccc(C)c2)n1	91368999	UIAHDEANGGHOAB-UHFFFAOYSA-N	231.255	1.752	0	30	BDAC	
CC1(O)CN(C(=O)Oc2ccccc2)C1	84353704	JKKVDTYOHWNKSR-UHFFFAOYSA-N	207.229	1.252	0	30	BDAC	
COC(=O)c1c(Cl)nn(C)c1Cl	34415499	JGWUKLWWPAQAIJ-UHFFFAOYSA-N	209.032	1.514	0	30	BDAC	
COc1ccc(C=Nn2cnnc2)cc1OC	8781792	DKPICALCFHAXGE-UHFFFAOYSA-N	232.243	1.178	0	30	BDAC	
CNCCC1CCN(c2ccncc2)CC1	69730688	ILTZZZSSHMENHM-UHFFFAOYSA-N	219.332	1.908	0	30	BDAC	in-vitro
Nc1cc(Cl)nc(C2CCOCC2)n1	1536221882	OUBMKPDMCNEUKV-UHFFFAOYSA-N	213.668	1.606	0	30	BDAC	
C/C=C/[C@@H]1OC[C@@H](COC(=O)CCC)O1	137666496	ICPQFQAABAQGLG-UMVCZCLVSA-N	214.261	1.647	0	30	BDAC	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)O	306596438	YSHFQGLESIRPQQ-LDYMZIIASA-N	215.293	1.624	0	30	BDAC	
Brc1ccc(-n2cncn2)nc1	42388702	JFBXMUZERCLCOR-UHFFFAOYSA-N	225.049	1.425	0	30	BDAC	in-vitro
c1ccc(CCNN2CCCOCCC2)cc1	33891485	KZDGERVBEDBZPW-UHFFFAOYSA-N	234.343	1.846	0	30	BDAC	
CC(C)(C)[C@H](C(=O)O)N1CCCCC1=O	82503227	UCAXBUGYWPXVNT-VIFPVBQESA-N	213.277	1.498	0	30	BDAC	
C[C@@H](CCO)CNC(=O)OC(C)(C)C	84193729	HLPHAXAHATVNKN-QMMMGPOBSA-N	203.282	1.530	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)NC[C@H]1CCNC1(C)C	216550053	IAQFXXMVIILVAI-SECBINFHSA-N	228.336	1.899	0	30	BDAC	
CN(C)C(=O)Oc1cc(=O)oc2ccccc12	163532	ZYSJRTPZXZVQLC-UHFFFAOYSA-N	233.223	1.853	0	30	BDAC	
CCc1cccc(C)c1N1C(=O)C=CC1=O	101820	PERMABGHMYCNJM-UHFFFAOYSA-N	215.252	1.987	0	30	BDAC	
C[C@@H]1CN=C(NC(=O)c2ccccc2)O1	39105302	IXRPGGNHVRQKPO-MRVPVSSYSA-N	204.229	1.191	0	30	BDAC	
COC(=O)O[C@@H](C(=O)OC)c1ccco1	38647335	MDSSZZXFPUYYPR-SSDOTTSWSA-N	214.173	1.277	0	30	BDAC	
COC(=O)[C@@H]1C(=O)CC[C@@H]1c1ccccc1	38812834	FWLLPGIDURYFKA-PWSUYJOCSA-N	218.252	1.922	0	30	BDAC	
N[C@H](Cc1ccc(Cl)nc1Cl)C(=O)O	44287198	UNKGNUUNKARERE-RXMQYKEDSA-N	235.070	1.343	0	30	BDAC	
Cc1c(Br)noc1C(=O)O	82320275	RKFAWHJJYHBCLY-UHFFFAOYSA-N	205.995	1.444	0	30	BDAC	
COC(=O)C1CCC(N2CCCC2=O)CC1	90512761	VQVLBGSJLVOYDH-UHFFFAOYSA-N	225.288	1.341	0	30	BDAC	
Cc1cc(=O)n([C@@H]2CCSC2)cc1N	725249531	UUBCNKUKGNCUGS-MRVPVSSYSA-N	210.302	1.417	0	30	BDAC	
CCCN(CCC)CC(=O)Nc1nnc(C)o1	33893852	XYPPATVNMYDYCK-UHFFFAOYSA-N	240.307	1.439	0	30	BDAC	
COc1ccc2c(c1OC)NCCC2=O	34619448	XFLXFUVHQGAZCE-UHFFFAOYSA-N	207.229	1.702	0	30	BDAC	
O=C1NCCc2c(F)ccc(Br)c21	70587799	SNEVGXIVYMAJOC-UHFFFAOYSA-N	244.063	1.874	0	30	BDAC	
COC(=O)c1nc(Br)cnc1OC	95757576	YWGAPWVOZUZZPK-UHFFFAOYSA-N	247.048	1.034	0	30	BDAC	
C[C@@H](C(=O)O)N1CSCCSC1	521399220	VYLOVQSYVKDJAY-LURJTMIESA-N	207.320	1.157	0	30	BDAC	in-vitro
O=c1[nH]c2nccc(Br)c2o1	215335658	SGVAOAFFXFWEEH-UHFFFAOYSA-N	215.006	1.279	0	30	BDAC	
CC(C)(C)OC(=O)N1CCNC[C@@](C)(F)C1	220603336	INRMUIJBJHNDML-LLVKDONJSA-N	232.299	1.555	0	30	BDAC	
CCOC(=O)Cc1nc2nc(N(C)C)ccc2[nH]1	94262314	WRIFYPOJQJLFNU-UHFFFAOYSA-N	248.286	1.130	0	30	BDAC	
NC[C@@H]1CN(c2cccc(F)c2)C(=O)O1	19669177	JUPGGIVRZWNEBD-SECBINFHSA-N	210.208	1.110	0	30	BDAC	
CC(C)(C(=O)O)C(=O)OCc1ccccc1	114984461	USPNXTCBTKAUGB-UHFFFAOYSA-N	222.240	1.841	0	30	BDAC	
CC(C)(C)OC(=O)NCc1ccc[n+]([O-])c1	39953833	RJSSWEFFQSAFSI-UHFFFAOYSA-N	224.260	1.345	0	30	BDAC	
NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O	83777319	AKWFXFCXGOXDND-OLZOCXBDSA-N	223.291	1.858	0	30	BDAC	
COC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C21CC1	710030469	DOCTYGRGGTZHAB-LURQLKTLSA-N	222.240	1.072	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)O)CO1	685939207	VCKWPYNMUCRUHV-JGVFFNPUSA-N	245.275	1.001	0	30	BDAC	
CCOC(=O)Cc1cnccc1Br	260049855	OWKUWSKVXSATGR-UHFFFAOYSA-N	244.088	1.950	0	30	BDAC	
O=S(=O)(NC1CC1)c1ccc(F)cc1Cl	70250427	CXGOLWNNCDQUOJ-UHFFFAOYSA-N	249.694	1.920	0	30	BDAC	in-vitro
C(CC1CCNCC1)CN1CCOCC1	50952256	QDEFYZOKTUSAER-UHFFFAOYSA-N	212.337	1.098	0	30	BDAC	in-vitro
NC[C@H](Cc1cc(F)cc(F)c1)C(=O)O	76137323	QKDRBLLMAPIOMD-ZETCQYMHSA-N	215.199	1.167	0	30	BDAC	
CCOC(=O)[C@@]1(F)CNC[C@@H]1c1cccnc1	685997201	XKKFMMPMZPEZRU-ZYHUDNBSSA-N	238.262	1.040	0	30	BDAC	
O=C1CSc2nnc(-c3cccs3)n21	1036544	SVVHMOOJVGXNIX-UHFFFAOYSA-N	223.282	1.753	0	30	BDAC	
Cc1ncn(-c2nc3ccc(N)cc3[nH]2)c1C	94771338	ZZEBBSNPEONQAZ-UHFFFAOYSA-N	227.271	1.948	0	30	BDAC	
COC(=O)/C=C(\C)N[C@@H](C(=O)O)c1ccccc1	103285884	FMONNRDZPPUEOZ-IDVQTMNDSA-N	249.266	1.479	0	30	BDAC	
Cc1ccc(-c2nc(N)nc(N)n2)cc1Cl	89810	FMSXOWYHHDKKRB-UHFFFAOYSA-N	235.678	1.665	0	30	BDAC	
Cc1nn(-c2cc(C(F)(F)F)ccn2)c(=O)o1	78076	MYLAIYBBARFXEI-UHFFFAOYSA-N	245.160	1.548	0	30	BDAC	
CCO[C@@H]1CCCC[C@H]1N1CCOCC1	39099956	AFTFWZMXYMSIDT-VXGBXAGGSA-N	213.321	1.666	0	30	BDAC	
Cn1cc(C(=O)O)c(=O)c2ccsc21	35570281	XQVWMEBAGATXJB-UHFFFAOYSA-N	209.226	1.298	0	30	BDAC	
COc1ccc(O)c(Br)n1	105991257	PLAPIKZMILIDTM-UHFFFAOYSA-N	204.023	1.558	0	30	BDAC	
CC(C)(C)OC(=O)NCC[C@@]1(O)CCCNC1	214447939	DQDKZMOVMYXPGV-LBPRGKRZSA-N	244.335	1.016	0	30	BDAC	
C[C@@H](NN)c1ccc(C(F)(F)F)cn1	127175616	WHYIQPPCNMQAQY-RXMQYKEDSA-N	205.183	1.625	0	30	BDAC	
Nc1nc2ccc3c(c2s1)CNCC3	29327187	SEEZVZNOLHALOJ-UHFFFAOYSA-N	205.286	1.524	0	30	BDAC	
O=C(O)[C@@H]1Cc2cc(F)cc(F)c2O1	75882591	ZHANRMXBHPHPJH-ZETCQYMHSA-N	200.140	1.353	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2CC[C@]21CN	725343496	RXLDDHKJEYNJNF-SKDRFNHKSA-N	226.320	1.735	0	30	BDAC	
Cc1cc(-c2nnnn2-c2ccc(F)cc2)no1	122735	UXBPGXDQCMZJDV-UHFFFAOYSA-N	245.217	1.765	0	30	BDAC	
CSN(SC)C(=O)N1CCNC1=S	38609358	AZRVHPGHFSMWFI-UHFFFAOYSA-N	237.375	1.155	0	30	BDAC	
CC(C)(C(=O)O)[C@H]1NCCc2cc(O)ccc21	83660098	KZLJINUMNYBNGI-NSHDSACASA-N	235.283	1.690	0	30	BDAC	
Cn1ccc(=Nc2cc[n+](C)cc2)cc1	149852547	PNZKYIOBAZLLLJ-UHFFFAOYSA-N	200.265	1.082	0	30	BDAC	
CCOC(=O)c1sc(=NC)oc1C	255996640	QGMPHTWONCIJSF-UHFFFAOYSA-N	201.247	1.357	0	30	BDAC	
O=C1CCCN1c1ccnc(Br)c1	44118654	DIBSZCHVINTNEA-UHFFFAOYSA-N	241.088	1.971	0	30	BDAC	
CCOc1cc(N)ncc1Br	91301688	HPLWSPRNHUXFQG-UHFFFAOYSA-N	217.066	1.825	0	30	BDAC	
O=C(O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1	675050668	GXBYZAXJUHSWEW-WDSKDSINSA-N	212.167	1.961	0	30	BDAC	
COc1cnc(Br)cc1CO	238390454	HQUMSHFOQBQRBM-UHFFFAOYSA-N	218.050	1.345	0	30	BDAC	
C/C=C/CO[C@H]1NC(=O)N[C@@H]1OC/C=C/C	2013890	DZLBWVZPOJJFOH-BNCPEGEKSA-N	226.276	1.137	0	30	BDAC	
C[C@H]1C2CC(C(=O)O)(C2)N1C(=O)OC(C)(C)C	2265384789	YPKKYJLEFNICPL-ZOTTZIKWSA-N	241.287	1.859	0	30	BDAC	
CC1(C)COB(OB2OCC(C)(C)CO2)OC1	195771444	KCNYZUUWSCEPTH-UHFFFAOYSA-N	241.889	1.119	0	30	BDAC	
NC(=O)N[C@H]1CCC(=O)c2sccc21	11726813	KNKOUDKOHSNMEL-LURJTMIESA-N	210.258	1.434	0	30	BDAC	in-man
COC(=O)N1CCC[C@@H]1CCN(C)C	701525143	URURXRCAPOVXSX-SECBINFHSA-N	200.282	1.169	0	30	BDAC	
C/C=C/[C@H]1Oc2ccc(C)cc2C(=O)[C@H]1O	100317787	XVYLLEWVKFEVOT-WTQORWENSA-N	218.252	1.876	0	30	BDAC	
CN[C@@H](c1ccc(F)cc1)c1ncc[nH]1	87341134	XRDXFNGIDWQMCG-JTQLQIEISA-N	205.236	1.858	0	30	BDAC	
N[C@@](C(=O)O)(c1ccc(Cl)cc1)C1CC1	3677386	IPTANPCDJAVOBQ-LLVKDONJSA-N	225.675	1.989	0	30	BDAC	
CCOC(=O)[C@H](C(=O)C1CC1)C(F)(F)F	118197916	HSPHTIKQUJLMOO-LURJTMIESA-N	224.178	1.707	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H](N)CC2(CC2)C1	686095210	CPDWBPQOHGRGQS-SECBINFHSA-N	226.320	1.735	0	30	BDAC	
CO[C@@H](Cc1ccccc1)[C@H](C)C(=O)O	2585473	BWVGRRPSIBTFCM-ONGXEEELSA-N	208.257	1.965	0	30	BDAC	
Cn1ncc(CC(=O)O)c1C(F)(F)F	83287561	NJBNPTCMUBJMSE-UHFFFAOYSA-N	208.139	1.066	0	30	BDAC	
C[C@@H]1CNc2c(Br)cnn2C1	235327328	QDSIAZKQKXQTAI-RXMQYKEDSA-N	216.082	1.707	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CO	95627259	JHCUAQXGKDRBOU-BDAKNGLRSA-N	215.293	1.672	0	30	BDAC	
COc1c(OCC(F)(F)F)cc[n+]([O-])c1C	21297588	XEJXXIMVDRQOMG-UHFFFAOYSA-N	237.177	1.578	0	30	BDAC	
CCOC(=O)[C@H](N)Cc1cccc(Cl)c1F	44342655	PYNIJNMVBKKGSZ-SECBINFHSA-N	245.681	1.912	0	30	BDAC	
O=C(O)[C@H]1CCc2cc3c(cc2C1=O)OCCO3	28825656	TYPSGBZEHQQYFJ-QMMMGPOBSA-N	248.234	1.288	0	30	BDAC	
Cc1ccc2c(c1)nnc1nnc(S)n12	133543	ZZRMDIZIZREHDR-UHFFFAOYSA-N	217.257	1.270	0	30	BDAC	
CC(=O)c1ccccc1NC(=O)/C=C\C(=O)O	32540512	SXYNMBWDMPJRKN-SREVYHEPSA-N	233.223	1.469	0	30	BDAC	
CCCn1c(=O)ccn(-c2ccccc2C)c1=O	171214	JEETXYMDQKCQRO-UHFFFAOYSA-N	244.294	1.718	0	30	BDAC	
Cc1cccc(N(C[C@@H](C)O)C[C@@H](C)O)c1	38613607	AGRSZBOCZMNJIN-VXGBXAGGSA-N	223.316	1.563	0	30	BDAC	
Cc1cccc(C)c1NC(=O)[C@H]1NCCC[C@@H]1O	218986262	DYXRIXPETFIMFR-AAEUAGOBSA-N	248.326	1.355	0	30	BDAC	
COc1cc(Cl)ccc1[C@H](N)CO	82913450	LDQXBBXUWXPXFE-MRVPVSSYSA-N	201.653	1.341	0	30	BDAC	
CC(C)[C@@H](CO)CNC(=O)OC(C)(C)C	199471405	CBKJDZORBWJUEV-SECBINFHSA-N	217.309	1.776	0	30	BDAC	
COC(=O)[C@](C)(N)Cc1ccc(F)cc1	57496498	ZGLCWUAEHZXXBE-LLVKDONJSA-N	211.236	1.259	0	30	BDAC	
CCOCc1nnc(Br)s1	71051577	NVWHXSWDNFNBLL-UHFFFAOYSA-N	223.095	1.837	0	30	BDAC	
COC(=O)[C@]1(C)C=CCN1C(=O)OC(C)(C)C	136740374	YDKVELHEMMJYJX-LBPRGKRZSA-N	241.287	1.725	0	30	BDAC	
N[C@@H](CC(=O)O)c1cc2ccccc2o1	2511669	HWTGIYWDRQTQIT-QMMMGPOBSA-N	205.213	1.907	0	30	BDAC	
O=C1CC[C@@H](C(=O)OCCc2ccccc2)N1	6096204	VYNNRGPBBRKNNQ-NSHDSACASA-N	233.267	1.051	0	30	BDAC	biogenic
CN1CCO[C@@H](CN)[C@@H]1c1ccccc1	69796447	HFCLSNXNNDZCMZ-RYUDHWBXSA-N	206.289	1.017	0	30	BDAC	
OC[C@@H](NCc1ccccc1)C1CCC1	87585785	SFCGXTFRTIOPQW-CYBMUJFWSA-N	205.301	1.937	0	30	BDAC	
C[Si](C)(C)CCOC(=O)N1CCNCC1	197551951	IDIFIHFGDRTGMI-UHFFFAOYSA-N	230.384	1.366	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2	685945609	FAYATNZNPIOEGX-SKDRFNHKSA-N	226.320	1.653	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@](CN)(C2CC2)C1	211837911	MJDULQWYYZFIHT-CYBMUJFWSA-N	240.347	1.982	0	30	BDAC	
COc1ccccc1OC[C@H]1CCCN1	38585881	RKGKCHBDKRVJAV-SNVBAGLBSA-N	207.273	1.826	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC(F)(F)C[C@@H]1N	306779172	UOONEHWEPPYREX-NKWVEPMBSA-N	236.262	1.636	0	30	BDAC	
COC(=O)C[C@H]1CCc2ccccc2C1=O	34091352	JXGWCLZVVXSVRQ-SNVBAGLBSA-N	218.252	1.995	0	30	BDAC	
CCOC(=O)Cc1ccc(CC)c(N)c1	39101229	QQLWVKAZOLVWAC-UHFFFAOYSA-N	207.273	1.937	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H](F)C(=O)[C@H](F)C1	222017857	MWKMVSDVUBMEKD-KNVOCYPGSA-N	235.230	1.482	0	30	BDAC	
CCN1CCN=C1/C=C/c1cccnc1	13491700	BUXIWFCSVUWGMN-AATRIKPKSA-N	201.273	1.829	0	30	BDAC	
COCOCCNC(=O)OC(C)(C)C	39093303	SCZVNWWUSCJNSA-UHFFFAOYSA-N	205.254	1.132	0	30	BDAC	
NCC1(CN2CCOCC2)CCCCC1	49815195	QQUJTFAVYFEGLY-UHFFFAOYSA-N	212.337	1.228	0	30	BDAC	in-vitro
O=C(O)[C@@H]1CCC[C@](O)(C(F)(F)F)C1	107470672	QNRPSENATFLRMF-IYSWYEEDSA-N	212.167	1.555	0	30	BDAC	
C[C@@]12C[C@H](O)CCN1CCc1ccccc12	4336175	OJOJONSLWNYEQZ-OCCSQVGLSA-N	217.312	1.915	0	30	BDAC	
CC[C@@H](C)[C@H](NC(=O)c1ccco1)C(=O)O	12340746	KUVZWSNPIJOQJP-APPZFPTMSA-N	225.244	1.509	0	30	BDAC	
N[C@@](C(=O)O)(c1cccc(F)c1)C(F)(F)F	69548547	NUXDDYNJOVNZHY-MRVPVSSYSA-N	237.152	1.627	0	30	BDAC	in-vitro
CC(C)(C(=O)O)n1cc(-c2ccccn2)nn1	72159674	DEFZUURSKGISKF-UHFFFAOYSA-N	232.243	1.160	0	30	BDAC	
COC(=O)c1cccc(OCC(F)F)c1N	87788461	USTVXQKSJQKBOK-UHFFFAOYSA-N	231.198	1.699	0	30	BDAC	in-vitro
CCOC(=O)/C=C/C(=O)c1ccc(OC)cc1	32099162	XNQHIPSJGRPIIW-CMDGGOBGSA-N	234.251	1.997	0	30	BDAC	
O=c1[nH]c(C2CCC2)ncc1Br	85449557	YQLDUMQAQMZKNF-UHFFFAOYSA-N	229.077	1.800	0	30	BDAC	
CC(C)(C)OC(=O)[C@]1(C(=O)O)CC1(C)C	521398936	SBBWYOZYXPWSHZ-LLVKDONJSA-N	214.261	1.829	0	30	BDAC	
O=C1Nc2ccc(F)cc2N2CCC[C@H]12	86158658	NVXLBCNIHBTWCG-SECBINFHSA-N	206.220	1.747	0	30	BDAC	in-vitro
CNC(=O)c1cc(Oc2ccc(N)nc2)ccn1	226022957	KKGRUYGNAIKOBK-UHFFFAOYSA-N	244.254	1.211	0	30	BDAC	
COC(CNC(=N)C(Cl)(Cl)Cl)OC	22001054	JCCVTYGEIONNHH-UHFFFAOYSA-N	249.525	1.542	0	30	BDAC	
CN1CCO[C@@H](CNCc2ccccc2)C1	82432939	ACYGXXVDOGKDGS-ZDUSSCGKSA-N	220.316	1.107	0	30	BDAC	in-vitro
C[C@H](CO)CCNC(=O)OC(C)(C)C	220736954	DLJVHNHWNRPSDA-QMMMGPOBSA-N	203.282	1.530	0	30	BDAC	
C=COC(=O)OCCOCCOC(=O)OC=C	38634391	UQXAJSCITZRYBL-UHFFFAOYSA-N	246.215	1.596	0	30	BDAC	
CC(=O)CC(=NNC(N)=S)c1ccccc1	390391273	JVYSFWCAYMIGGD-UHFFFAOYSA-N	235.312	1.203	0	30	BDAC	
COCCc1nc(C)c([C@@H](C)O)s1	44594189	GYXVNLMCQTXZJT-SSDOTTSWSA-N	201.291	1.694	0	30	BDAC	in-vitro
NCCc1ncc(Br)s1	83883353	UNQIXIIEQJKRPB-UHFFFAOYSA-N	207.096	1.407	0	30	BDAC	in-vitro
NC[C@@H]1c2ccccc2C(=O)N1CC(F)F	536950865	LHDYIJLJWYRAAV-SECBINFHSA-N	226.226	1.407	0	30	BDAC	
COc1cccc(Cc2ccc(N)nn2)c1	21300599	IFLQAQFBHXXGTG-UHFFFAOYSA-N	215.256	1.658	0	30	BDAC	
N=C(NCCN1CCOCC1)C1CCCCC1	62989237	ZTHKUKDGLHKBAL-UHFFFAOYSA-N	239.363	1.466	0	30	BDAC	
CCOP(=O)(OCC)c1cccnc1	34542007	PZSLNFUHTFJWSV-UHFFFAOYSA-N	215.189	1.973	0	30	BDAC	
COC(=O)[C@H]1Cc2ccc(Cl)cc2CN1	82786225	UIAPGKMONUXFRA-SNVBAGLBSA-N	225.675	1.527	0	30	BDAC	
C[C@@H](CC(=O)OC(C)(C)C)[C@H](CN)C(=O)O	238791489	GRSCYBCTSXLYMO-YUMQZZPRSA-N	231.292	1.014	0	30	BDAC	
Cn1nc(C(=O)O)c(Br)c1Cl	215575095	POCRQYYMCILDAJ-UHFFFAOYSA-N	239.456	1.534	0	30	BDAC	
NC[C@H](CO)Cc1cccc(Br)c1	26476824	BWXWCNDLDYSPDC-SECBINFHSA-N	244.132	1.559	0	30	BDAC	
CCOC(=O)/C=C/c1cc(C=O)cn1C	38302021	NMRLATUVLJJHNP-SNAWJCMRSA-N	207.229	1.414	0	30	BDAC	
N[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)nn1	38050637	CTYHBTBZMATMLT-SFYZADRCSA-N	226.711	1.812	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CO)[C@H]2C[C@H]21	307266187	GGWGZYCGAGSAFZ-ZYUZMQFOSA-N	227.304	1.528	0	30	BDAC	
N[C@H](CSc1cccs1)C(=O)O	6226291	XRPOWEFAFQZLRI-RXMQYKEDSA-N	203.288	1.252	0	30	BDAC	
CC(C)N1CCN(C(=O)OC(C)(C)C)CC1	39019812	YKMBNBXUPNOYHE-UHFFFAOYSA-N	228.336	1.948	0	30	BDAC	
O=C(O)[C@@]1(Cc2ccccc2)CCOC1	54634085	NYPKWCFGOPTYDQ-GFCCVEGCSA-N	206.241	1.720	0	30	BDAC	
Cc1ccc(CNC(=O)C(C#N)=CN(C)C)cc1	95914960	NZWZTTXIMSMNJR-UHFFFAOYSA-N	243.310	1.580	0	30	BDAC	
C[C@@H](C(=O)O)C(=S)C(=S)[C@@H](C)C(=O)O	38644182	ICOZEHWAFZQWAU-QWWZWVQMSA-N	234.298	1.168	0	30	BDAC	
CCOC(=O)[C@@H](C(C)=O)C(=O)c1ccco1	34519379	FMWDBBDGFITFLO-VIFPVBQESA-N	224.212	1.231	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN[C@@H](C2)C1	685945560	HDVSCPQXGLYSFG-LPEHRKFASA-N	226.320	1.652	0	30	BDAC	
O=C(O)[C@H]1CCn2cc(C(F)(F)F)nc2C1	536955624	RBVNAXXBMRDKCS-YFKPBYRVSA-N	234.177	1.549	0	30	BDAC	
CO[C@@H]1C[C@H](F)[C@@H](COC(=O)C(C)(C)C)O1	6662066	XJYNLHKXCBOWAM-YIZRAAEISA-N	234.267	1.675	0	30	BDAC	
Nc1cc(Nc2ccc([N+](=O)[O-])cc2)nc(N)n1	196320977	DHPSHWOPUUHKJT-UHFFFAOYSA-N	246.230	1.293	0	30	BDAC	
COC(=O)[C@@]1(C)CC(F)(F)C1(F)F	2265385372	PDXZSJSLMINEPO-RXMQYKEDSA-N	200.131	1.840	0	30	BDAC	
COCc1cc(=O)[nH]c(-c2csc(C)n2)n1	13469565	QSTGZLCZEQENNA-UHFFFAOYSA-N	237.284	1.348	0	30	BDAC	
CCOC(=O)[C@@H]1[C@@H](C(=O)OCC)[C@H]2C=C[C@H]1C2	100335387	UXRMRBNLTQHPEU-NAKRPEOUSA-N	238.283	1.551	0	30	BDAC	
COc1nc(Br)ncc1F	306191053	QRUWMORLAFGVRK-UHFFFAOYSA-N	207.002	1.387	0	30	BDAC	
C[C@H](Cc1cnc2ccccc2n1)C(=O)O	86717637	CJBLYZVOLFSDLQ-MRVPVSSYSA-N	216.240	1.893	0	30	BDAC	
C1CCN(CCc2noc3c2CCN3)CC1	3704128	NISIIJXINWTJDK-UHFFFAOYSA-N	221.304	1.671	0	30	BDAC	
Brc1nnc(-c2ccon2)s1	71051829	BSBPZRPVKNMTBV-UHFFFAOYSA-N	232.062	1.956	0	30	BDAC	in-vitro
C[C@@H](N)[C@@H](O)c1cc(F)cc(Cl)c1	95788742	GAFTVDZYKAATRP-MLUIRONXSA-N	203.644	1.860	0	30	BDAC	
CN1CCO[C@H](CNCc2ccccc2)C1	82432938	ACYGXXVDOGKDGS-CYBMUJFWSA-N	220.316	1.107	0	30	BDAC	in-vitro
Nc1cc(C(F)(F)F)ncc1C(=O)O	95763403	OXIDMTHROAKPSF-UHFFFAOYSA-N	206.123	1.381	0	30	BDAC	
N[C@H]1CCOc2nc(C(F)(F)F)ccc21	238607663	WBGJBAQVGFHKSH-LURJTMIESA-N	218.178	1.883	0	30	BDAC	
O=C(N[C@H]1CN2CCC1CC2)c1ccccc1	5681447	MVKDKUUCCOPJSG-ZDUSSCGKSA-N	230.311	1.511	0	30	BDAC	
C[C@@H](O)[C@@H]1COCCN1C(=O)OC(C)(C)C	212370691	QEHPTNBZJUDZGO-BDAKNGLRSA-N	231.292	1.003	0	30	BDAC	
N[C@@H](CC(=O)O)c1ccc(Cl)s1	36906847	OWUUKJDYHDUZTR-BYPYZUCNSA-N	205.666	1.876	0	30	BDAC	
CN(CC1CCCCC1)C(=O)C(C)(C)N	40923865	WNYZQXOHVJVHPQ-UHFFFAOYSA-N	212.337	1.762	0	30	BDAC	in-vitro
O=C(O)[C@H]1CCCn2cc(C(F)(F)F)nc21	75989941	MTEGIGAXIPMRGL-YFKPBYRVSA-N	234.177	1.864	0	30	BDAC	
Cn1cc(CC(=O)O)c(C(F)(F)F)n1	83287560	BVBLSKFTTILISE-UHFFFAOYSA-N	208.139	1.066	0	30	BDAC	
O=C1NC(=O)C2(CC(c3ccccc3)C2)N1	334163898	WQBXONCCVVRFNY-UHFFFAOYSA-N	216.240	1.142	0	30	BDAC	
CC(C)(CO)NC(=O)/C=C/c1ccccc1	2034423	HLNXBLMILSOABY-CMDGGOBGSA-N	219.284	1.587	0	30	BDAC	
O=C(O)COc1cccc([C@@H]2C=NN=N2)c1	31776310	NEKPWACGHGQPMW-VIFPVBQESA-N	219.200	1.643	0	30	BDAC	
Cc1[nH]c(=O)[nH]c(=O)c1C1CCCCC1	6068620	CGYZTURVLBVSBC-UHFFFAOYSA-N	208.261	1.419	0	30	BDAC	
CC(C)COCCCOC[C@@H](C)OCCCO	141958981	FHESORQXALNZLD-CYBMUJFWSA-N	248.363	1.853	0	30	BDAC	
CCC(=O)Oc1ccc2sc(=O)[nH]c2c1	45236877	ZTANQVOKMYTZCU-UHFFFAOYSA-N	223.253	1.905	0	30	BDAC	
COC[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O	141783400	DZSWWZASZDLNHB-SECBINFHSA-N	243.303	1.459	0	30	BDAC	
COC(=O)c1cnc2c(N)cccc2c1	238417837	ZOLGHJVACMWFGC-UHFFFAOYSA-N	202.213	1.604	0	30	BDAC	
COC(=O)c1cccc(Cc2ccc(N)nn2)c1	21300595	FHLKSWUAONZQMA-UHFFFAOYSA-N	243.266	1.436	0	30	BDAC	
O=C(O)c1[nH]c(=O)[nH]c1CCC1CCCC1	100032820	KWLMUQHYGSTMLU-UHFFFAOYSA-N	224.260	1.524	0	30	BDAC	
CN(C)c1nc(Cl)c(C(=O)O)s1	87768146	DUDVJEMJQSWUCT-UHFFFAOYSA-N	206.654	1.561	0	30	BDAC	
CC(C)(C)OC(=O)NO[C@H](CO)C1CCCC1	257998243	PNXVZDIFQUTGCP-SNVBAGLBSA-N	245.319	1.994	0	30	BDAC	
CCOC(=O)[C@@H]1CCc2[nH]nc(C)c2C1	261197547	UVJDRUBLUMOHOR-MRVPVSSYSA-N	208.261	1.386	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CNCC2(CC2)C1	202992720	VZCOYYPWOPUQOT-SECBINFHSA-N	226.320	1.653	0	30	BDAC	
CCCCCCN(N=O)C(=N)N[N+](=O)[O-]	4578947	OKEOKSSXTJTRSL-UHFFFAOYSA-N	217.229	1.266	0	30	BDAC	
CC(=O)N(C)CC(=O)c1ccc(O)cc1	85414482	UZLYQGZDUNTHRR-UHFFFAOYSA-N	207.229	1.053	0	30	BDAC	
COC(=O)[C@]1(C)CC(F)(F)C1(F)F	2265385373	PDXZSJSLMINEPO-YFKPBYRVSA-N	200.131	1.840	0	30	BDAC	
O[C@H]1[C@H](n2ccnn2)CCC[C@]12CC=CCOC2	226077358	AXAZSVLGZFFSNC-AGIUHOORSA-N	249.314	1.327	0	30	BDAC	
CCOC(=O)[C@@H](N)[C@H](C)c1ccc(OC)cc1	260734532	FDTJMWPMVHSUAM-SKDRFNHKSA-N	237.299	1.689	0	30	BDAC	
C#CC1(NC(=O)/C=C/C(=O)O)CCCCC1	137265	CWRBXSRDUSNQMM-VOTSOKGWSA-N	221.256	1.080	0	30	BDAC	
COC(=O)Cc1cc(O)nc(Cl)c1	2506558	JWHCNUFZQZREHY-UHFFFAOYSA-N	201.609	1.156	0	30	BDAC	
CC1=CC[C@H]2CN(CCN(C)C)C[C@H]2C1	19366283	WVYNZNQOWJKLQW-QWHCGFSZSA-N	208.349	1.836	0	30	BDAC	
C[C@H](N)c1cc(Br)n(C)n1	219950396	MUYAFZPMEBWRPA-BYPYZUCNSA-N	204.071	1.202	0	30	BDAC	
C[C@@H](CO)CCNC(=O)OC(C)(C)C	225263795	DLJVHNHWNRPSDA-MRVPVSSYSA-N	203.282	1.530	0	30	BDAC	
COc1ccc([C@H]2NCCS2)cc1O	34181078	BSSCYIGDTXBNTG-JTQLQIEISA-N	211.286	1.736	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H](C2CC2)[C@@H](N)C1	143407571	AODHHHHJHRBGHB-ZJUUUORDSA-N	226.320	1.591	0	30	BDAC	
O=c1[nH]c2cc(Cl)ccc2n2cncc12	95883709	ZSBDPMPBXXNVPR-UHFFFAOYSA-N	219.631	1.829	0	30	BDAC	in-vitro
Nc1nnc(-c2ccc3nsnc3c2)o1	157783	UZKGNNKNJBSVQA-UHFFFAOYSA-N	219.229	1.324	0	30	BDAC	
COC(=O)c1cc(Cl)c(N)c2c1OCC2=O	309380847	JVDWTFNVAZIMOU-UHFFFAOYSA-N	241.630	1.284	0	30	BDAC	
CC(C)Cn1cc([C@@H]2NCC23CCOCC3)cn1	1535197467	NZGWTYCSEFAQBM-ZDUSSCGKSA-N	249.358	1.980	0	30	BDAC	
CC(=O)C1(n2cc(Br)cn2)CC1	1535364236	ZHYXQEHNSOBZPZ-UHFFFAOYSA-N	229.077	1.724	0	30	BDAC	
CCOC(=O)[C@H](CC(=O)C1CC1)C(C)=O	521399647	BGXKYGJIIHLFPM-SECBINFHSA-N	212.245	1.124	0	30	BDAC	
O=C(c1cn[nH]c1)c1cc(Cl)ccc1O	32501324	WGHLBTGZLIHWGK-UHFFFAOYSA-N	222.631	2.000	0	30	BDAC	
CCC(=O)c1ccccc1OC[C@H](O)CO	5818822	KLFOHIJBCWYYDM-SECBINFHSA-N	224.256	1.011	0	30	BDAC	
Cc1cc(-c2nccnc2C)nc(N)n1	95935437	YHTQGJOQEGZZBR-UHFFFAOYSA-N	201.233	1.133	0	30	BDAC	
O=C1CNc2cnc(Br)cc2N1	237995262	ATMORLRKVAAZEX-UHFFFAOYSA-N	228.049	1.208	0	30	BDAC	
COC(=O)c1cc(NC(=O)OC(C)(C)C)on1	95929698	UFRXEVRHQHNSLV-UHFFFAOYSA-N	242.231	1.808	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(F)F	95774704	RBBANSRZYXHAHO-SCSAIBSYSA-N	225.191	1.229	0	30	BDAC	
COC(=O)[C@@H](O)C1CCC(F)(F)CC1	688280317	QBPKXOPBGOJMGU-ZETCQYMHSA-N	208.204	1.346	0	30	BDAC	
O=C1CNc2cccc(Br)c2N1	201294354	DIQOOSOOPXMQCY-UHFFFAOYSA-N	227.061	1.813	0	30	BDAC	
OC[C@H]1[C@H]2C=C[C@@H](C2)N1Cc1ccccc1	209937375	NBACUICTAXNYFV-IHRRRGAJSA-N	215.296	1.808	0	30	BDAC	
CN(C)c1ccc(C=NNC(=O)CC#N)cc1	12340130	RWGFQNBYOYUCIU-UHFFFAOYSA-N	230.271	1.116	0	30	BDAC	
NC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21	285219011	XHKRYPHYFLZZIA-FRRDWIJNSA-N	246.310	1.570	0	30	BDAC	
Cc1ccc(CNC(=O)/C=C/C(=O)O)cc1	104132	NEUHICJDMZVKSH-VOTSOKGWSA-N	219.240	1.252	0	30	BDAC	
COC(=O)[C@H](N)Cc1c[nH]c2ccc(OC)cc12	27851958	ZLVRWEGIPKKGJL-LLVKDONJSA-N	248.282	1.219	0	30	BDAC	
O=C1CC2(CCCC2)C(=O)N1c1cn[nH]c1	35764790	HTVBRFYLXCOZMB-UHFFFAOYSA-N	219.244	1.233	0	30	BDAC	in-vitro
CN(CCCCN)C(=O)OCc1ccccc1	39952160	NBFJXSTYEJMGGN-UHFFFAOYSA-N	236.315	1.994	0	30	BDAC	
NC(=O)[C@@]1(c2ccc(Cl)cc2Cl)CO1	2015112	BSUVNHZVLSEXMX-VIFPVBQESA-N	232.066	1.704	0	30	BDAC	
CCC(=O)N[C@H](C(=O)O)C(C)(C)SN=O	22065345	XRIWLEWQNCECEP-ZCFIWIBFSA-N	234.277	1.159	0	30	BDAC	in-vitro
COc1ccc2c(c1)NC[C@@H]2CC(=O)O	35569851	IEDZUUGUFWYMHU-ZETCQYMHSA-N	207.229	1.679	0	30	BDAC	
Cc1nc2c(O)ccc(O)c2c2c1CCO2	39097832	SCSLEQOATQZGCQ-UHFFFAOYSA-N	217.224	1.889	0	30	BDAC	
COC(=O)c1ccc([C@@H](O)C(F)F)cc1	87687899	HUSZEWRGWATCRB-MRVPVSSYSA-N	216.183	1.772	0	30	BDAC	
Nc1ccc(Br)c2c1NCC2	215222665	JOIUKXPSQXXDDU-UHFFFAOYSA-N	213.078	1.999	0	30	BDAC	
O=Cc1cc2cc(Br)cn2cn1	237996794	RMBRWVXCINMXOM-UHFFFAOYSA-N	225.045	1.909	0	30	BDAC	
C[C@@]12C[C@@H](O)CCN1CCc1ccccc12	33749673	OJOJONSLWNYEQZ-JSGCOSHPSA-N	217.312	1.915	0	30	BDAC	
CC(C)(C)ONC(=O)CCCC(=O)O	134474713	UJXJCHJSXKOGAU-UHFFFAOYSA-N	203.238	1.088	0	30	BDAC	
COc1cncc(OC2CCNCC2)c1	1535708849	COYWBSRTFBCQLH-UHFFFAOYSA-N	208.261	1.221	0	30	BDAC	
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2N1CCOCC1	34584182	ZUCSYVYDPCTIJI-BYNQJWBRSA-N	239.359	1.504	0	30	BDAC	
OCC(CO)Cc1ccc(F)cc1F	86370302	CRPUIILHODSBAF-UHFFFAOYSA-N	202.200	1.108	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2C[C@@H]1CN2	96028308	XRDBVKRCVDIYCZ-DTWKUNHWSA-N	212.293	1.358	0	30	BDAC	
CN(N)Cc1cc(O)ccc1Br	207709554	CXMQXDZEQIYTIO-UHFFFAOYSA-N	231.093	1.460	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@]2(O)C[C@H]2C1	642879150	ANYXOONFHQCZBY-KWQFWETISA-N	213.277	1.378	0	30	BDAC	
Nc1cc(C(F)(F)F)ccc1N1CCNCC1	50607356	BJVQUBORKZNJPC-UHFFFAOYSA-N	245.248	1.697	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2CCCN[C@H]2C1	82327504	ZWEWOQJWNGDMHO-MNOVXSKESA-N	240.347	1.995	0	30	BDAC	
COC(=O)[C@H](F)C(=O)c1cccc(C)c1	100197104	KOIMXSMNZCYNPB-SECBINFHSA-N	210.204	1.689	0	30	BDAC	
Nc1nc2[nH]cc(-c3ccccc3)c2c(=O)[nH]1	33978986	RELXHHVNXBMEDS-UHFFFAOYSA-N	226.239	1.500	0	30	BDAC	
CCOC(=O)c1cc(O)c(OC)cc1[N+](=O)[O-]	98187072	GUYNSPSCFTUALS-UHFFFAOYSA-N	241.199	1.486	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(OC(=N)O)C1	725343521	FMABORXCTFSQHQ-UHFFFAOYSA-N	216.237	1.115	0	30	BDAC	
C[C@@H]1C[C@H](O)CC[C@H]1NC(=O)c1ccccc1	82048373	TYFSOXNODYLMAL-RAIGVLPGSA-N	233.311	1.966	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CCC=C[C@@H]1O	34145991	GFNJPJIUFYCIIB-BDAKNGLRSA-N	213.277	1.591	0	30	BDAC	
CON[C@H]1CCN(C(=O)OC(C)(C)C)C1	134236868	QSFXVEHGKJZZNG-QMMMGPOBSA-N	216.281	1.147	0	30	BDAC	
CN(C)C=CC(=O)c1cccnc1Cl	77054743	VJWLVZNRISQMLV-UHFFFAOYSA-N	210.664	1.993	0	30	BDAC	
N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1	399875511	FPVNXBNJCSHELP-MWLCHTKSSA-N	207.277	1.082	0	30	BDAC	
O=S(=O)(O)[C@@H](O)c1ccccc1Cl	6095456	FTSIBBNHWZVNTJ-SSDOTTSWSA-N	222.649	1.219	0	30	BDAC	
CNC(=O)NCc1ccc(-c2csnn2)cc1	106451	NBXPXIDRHOBCDT-UHFFFAOYSA-N	248.311	1.634	0	30	BDAC	
CC(C)[C@H]1CN(CC(F)(F)F)CCN1	82925321	VCJOQYHIIZAOGU-MRVPVSSYSA-N	210.243	1.479	0	30	BDAC	
CNNC(=S)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@@H]12	252428682	VEMRIERNCZUCLY-MVCUBJFGSA-N	237.372	1.186	0	30	BDAC	
O=C(Nc1ccc(O)cc1O)C(F)(F)F	39100445	SXTONSAAPWCQDB-UHFFFAOYSA-N	221.134	1.599	0	30	BDAC	
CCOC(OCC)C(=O)c1ccnn1C	86452762	ADVDKNPHSGLNBF-UHFFFAOYSA-N	212.249	1.002	0	30	BDAC	
OC[C@H](NCc1ccccc1)C1CCC1	87585784	SFCGXTFRTIOPQW-ZDUSSCGKSA-N	205.301	1.937	0	30	BDAC	
COC(=O)[C@](C)(CN)c1ccccc1F	96034580	ORQNRNBAUTXYNV-LLVKDONJSA-N	211.236	1.215	0	30	BDAC	in-vitro
CNS(=O)(=O)c1cccc2cc(N)ccc12	2004436	NBMZMEKMHLTRPM-UHFFFAOYSA-N	236.296	1.330	0	30	BDAC	
O[C@@H]1CCC23CC[C@@H](O)CC2(COC3)C1	39097331	IKIUSBRRDAMWCI-QYNFOATHSA-N	212.289	1.079	0	30	BDAC	
COC(=O)c1c(C)nn(C)c1-c1ccno1	122307	YRZIMKIVUPANPB-UHFFFAOYSA-N	221.216	1.170	0	30	BDAC	
CC[C@@H](C(=O)NC(=O)NC(C)=O)c1ccccc1	3871377	GBPZSCQLDXUGNO-LLVKDONJSA-N	248.282	1.553	0	30	BDAC	in-man
CC[C@]1(c2ccc(F)cc2)NC(C)=NC1=O	95924017	NSFDGBXWNRIILW-GFCCVEGCSA-N	220.247	1.979	0	30	BDAC	
Cc1cc(N2[C@H]3CC[C@H]2CNC3)ccn1	663280216	FHWONCWWALQKES-RYUDHWBXSA-N	203.289	1.331	0	30	BDAC	
NC[C@H]1CCCN(Cc2cccnc2)C1	19843433	LUURPVUDUOREFV-LLVKDONJSA-N	205.305	1.252	0	30	BDAC	
CC(C)(C)OC(=O)O[C@@H]1C=CCOC1	1857792946	FRMDWJCFXIBOCJ-MRVPVSSYSA-N	200.234	1.893	0	30	BDAC	
CSC1=NS(=O)(=O)c2ccccc2N1C	15444355	CCCFNPVVVYRURV-UHFFFAOYSA-N	242.325	1.544	0	30	BDAC	
COC(=O)[C@@H]1CCCN[C@H]1C(F)(F)F	107469839	XGQFXQBGSMIIPC-PHDIDXHHSA-N	211.183	1.090	0	30	BDAC	
C[C@@H]1O[C@@]1(CO)c1ccc(F)cc1F	22012438	QREKDCIJNCXYEQ-QUBYGPBYSA-N	200.184	1.571	0	30	BDAC	
C[C@@H](CO)Nc1ccc(Br)cn1	35607003	MHMPNNKNGPHJAE-LURJTMIESA-N	231.093	1.637	0	30	BDAC	in-vitro
C[C@@H](NC(=O)OC(C)(C)C)C(=O)S	115884130	XOUNMZDIMUZMTD-RXMQYKEDSA-N	205.279	1.356	0	30	BDAC	
CC(C)c1ccc(NNC(N)=S)cc1	69523	WMZZGZCEQIBEND-UHFFFAOYSA-N	209.318	1.970	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3N	306707320	LWPWUINBEYWRGR-DAWVFNFOSA-N	238.331	1.589	0	30	BDAC	
O=C(O)c1cc(Cl)cnc1C(=O)O	38312907	HRZJSPYJMYUKMQ-UHFFFAOYSA-N	201.565	1.131	0	30	BDAC	in-vitro
COc1cc(N)c(Cl)cc1C(N)=O	33975416	BRXXTVNYHGGBKP-UHFFFAOYSA-N	200.625	1.030	0	30	BDAC	
N[C@@H]1CCOC[C@H]1OCc1ccccc1	38136694	VFZHBGRHGFTYGZ-VXGBXAGGSA-N	207.273	1.319	0	30	BDAC	
CCOC(=O)c1sc(OC)cc1N	39084931	SVLSSNWSVYEHNN-UHFFFAOYSA-N	201.247	1.516	0	30	BDAC	
COCC[C@H]1C(=O)CN1C(=O)OC(C)(C)C	328579593	QKYICTFFEZLAHE-QMMMGPOBSA-N	229.276	1.211	0	30	BDAC	
O=C(O)[C@]1(F)CNC[C@H]1c1ccccc1	238860548	ZVYYZPGPSQASCY-ONGXEEELSA-N	209.220	1.166	0	30	BDAC	
Cc1n[nH]c(Br)c1C(=O)O	82379979	LGFSAXJQSGIGED-UHFFFAOYSA-N	205.011	1.179	0	30	BDAC	
Nc1cn2cc(Br)cnc2n1	88190144	LPAHLRLNRBBDOX-UHFFFAOYSA-N	213.038	1.074	0	30	BDAC	in-vitro
O=C(O)c1cc2c(nc1O)CCC(F)(F)C2	685946853	DEJLUUXBJCBJBQ-UHFFFAOYSA-N	229.182	1.609	0	30	BDAC	
Cc1cc(C)n(C(=O)C(C#N)=CN(C)C)n1	33336990	BODHNHHQFATQRA-UHFFFAOYSA-N	218.260	1.109	0	30	BDAC	
CCCC[C@]1(c2ccncc2)CCC(=O)NC1=O	5139082	OBNLIUMWVZVGID-CQSZACIVSA-N	246.310	1.946	0	30	BDAC	
Nc1cc(NCC(=O)O)ccc1Cl	98090877	FAWXRIIWYRMYMC-UHFFFAOYSA-N	200.625	1.419	0	30	BDAC	
O=c1c2ccccc2nc2n1CCCO2	6744525	ZFCCYAGCTGKQRL-UHFFFAOYSA-N	202.213	1.179	0	30	BDAC	
O=C(O)[C@@H]1CCC[C@H](Nc2ncccn2)C1	70501560	JTICNGXANKZEHH-BDAKNGLRSA-N	221.260	1.532	0	30	BDAC	
Nc1c2c(nc3ccccc13)C[C@@H](O)C[C@@H]2O	5517	OUZJMSBCLSBRRD-HQJQHLMTSA-N	230.267	1.158	0	30	BDAC	
Nc1nc2ccc3c(c2s1)COCO3	201186838	DUUFEZPRXPQCJD-UHFFFAOYSA-N	208.242	1.745	0	30	BDAC	
Cc1cccc(N([C@H](C)CO)[C@H](C)CO)c1	5161092	JNTBFQGTGSKVPY-VXGBXAGGSA-N	223.316	1.563	0	30	BDAC	
NS(=O)(=O)c1cc2c(s1)SCCC2=O	27658042	WKLCYOHFTPREOW-UHFFFAOYSA-N	249.338	1.074	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H](O)C(F)(F)F	32150254	HVTJYNRKBXOBCX-BYPYZUCNSA-N	215.171	1.392	0	30	BDAC	
CC(=O)C[C@@H](C(C)=O)[C@@H](O)c1ccco1	33607735	LACIYQDZSCPPHT-GXSJLCMTSA-N	210.229	1.497	0	30	BDAC	
CC(C)(C)OC(=O)N1C=C(CO)OCC1	1535644955	DXKJYXGTUJHDDV-UHFFFAOYSA-N	215.249	1.087	0	30	BDAC	
Cn1cc(-c2ccnc(C3CCNCC3)n2)cn1	536948774	UQTQZIBWLBVYII-UHFFFAOYSA-N	243.314	1.344	0	30	BDAC	
C[C@@H](CC(=O)OCc1ccccc1)C(=O)O	39117840	VCTNZSZUTRPODK-VIFPVBQESA-N	222.240	1.841	0	30	BDAC	
CC(C)[C@@H]1CN(CC(F)(F)F)CCN1	82925320	VCJOQYHIIZAOGU-QMMMGPOBSA-N	210.243	1.479	0	30	BDAC	
COc1ccc([C@H]2OCCN[C@H]2C)cc1	37405085	BHRUEGUXZCYUBO-CABZTGNLSA-N	207.273	1.745	0	30	BDAC	
Nc1ccc(CC(=O)OCc2ccccc2)cn1	116980568	CCYXBPLFWHAEAV-UHFFFAOYSA-N	242.278	1.950	0	30	BDAC	
CC(C)(C)OC(=O)N1CCCC[C@H](N)C1=O	328578528	OIAUYWNWFAVVNK-QMMMGPOBSA-N	228.292	1.261	0	30	BDAC	
O=C(Nc1cccc(O)c1)[C@H]1C[C@H]1C(=O)O	34379122	LGDPMGQENSRRCF-DTWKUNHWSA-N	221.212	1.051	0	30	BDAC	
CCOc1ccccc1-c1nc(NN)n[nH]1	45806050	XHYYPJLJOMBIMA-UHFFFAOYSA-N	219.248	1.156	0	30	BDAC	
O=C(O)C[C@@H]1C(=O)Nc2cc(Cl)ccc21	105381195	UGTURONJYZTWAN-ZETCQYMHSA-N	225.631	1.850	0	30	BDAC	
Nc1ccc(N2CCOCC2)c(F)c1F	114006125	DQNFMPOXJAOGJN-UHFFFAOYSA-N	214.215	1.384	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H]2OCCC[C@H]21	307037003	YGPOVGXTDBUOGY-KXUCPTDWSA-N	243.303	1.146	0	30	BDAC	
CO[C@@H]1CN[C@](C)(CNC(=O)OC(C)(C)C)C1	536948287	PTQMQCURMJQIIV-CABZTGNLSA-N	244.335	1.278	0	30	BDAC	
NC1(c2cccnc2Br)CC1	95642368	ARPCKXKAOQDNLA-UHFFFAOYSA-N	213.078	1.792	0	30	BDAC	
CCOC(=O)[C@@H]1CCC(=O)C[C@@H]1C(F)F	725271411	MLAGCGJBGXPTOS-SFYZADRCSA-N	220.215	1.800	0	30	BDAC	
COC(=O)[C@@]12C=CN(C)C(=O)[C@@H]1CC(C)=C(C)C2	196453344	MCZSWMQVRJBHRA-SMDDNHRTSA-N	249.310	1.878	0	30	BDAC	
COc1cccc(CC(=O)c2cccnc2)n1	205035307	GOIAEMBARLGTDX-UHFFFAOYSA-N	228.251	1.911	0	30	BDAC	
CNC[C@H]1OCCN(C)[C@H]1c1ccccc1	69797533	HSRFSSLZCICRJK-OLZOCXBDSA-N	220.316	1.278	0	30	BDAC	
FC(F)(F)c1cc2n(n1)CCCNC2	107374035	PHVGHJKUUQXOBM-UHFFFAOYSA-N	205.183	1.395	0	30	BDAC	
CCOC(=O)C1(N)C2CC3CC(C2)CC1C3	55026642	JUSJFNDIRQPKAJ-UHFFFAOYSA-N	223.316	1.703	0	30	BDAC	
O=C1NC2(CCNCC2)c2ccccc2O1	142444439	BFHKGDBVSSKNAB-UHFFFAOYSA-N	218.256	1.367	0	30	BDAC	
CCn1ccnc1[C@@H](N)C1CCOCC1	83719390	SCXKMOCMBYWNMM-JTQLQIEISA-N	209.293	1.329	0	30	BDAC	in-vitro
COc1cc(C)nc2nc(SC)nn12	131915	BCEVRPYLVPQQSH-UHFFFAOYSA-N	210.262	1.163	0	30	BDAC	
CCOC(=O)[C@@H]1CNC[C@@H]2CCCC[C@H]12	95740423	TVVSTLWLDOBLBA-GARJFASQSA-N	211.305	1.575	0	30	BDAC	
CN(OCCCN)C(=O)OC(C)(C)C	230833970	XTBLWBPAUVGQCU-UHFFFAOYSA-N	204.270	1.134	0	30	BDAC	
Cc1c(Br)ccc2c(=O)[nH]cnc12	235754062	OKRBRLFWCJZXGE-UHFFFAOYSA-N	239.072	1.994	0	30	BDAC	
O=C1C(c2ccccc2O)=CC=C[C@@H]1O	901755	QALSQFPMUVNNBI-NSHDSACASA-N	202.209	1.275	0	30	BDAC	
OCc1ccccc1OC1CCOCC1	12370460	RMRHXMQGVDIPCL-UHFFFAOYSA-N	208.257	1.737	0	30	BDAC	in-vitro
CC[C@H](NCC(=O)OC)c1ccccc1	19885338	GGEBRSXPLRWCKE-NSHDSACASA-N	207.273	1.900	0	30	BDAC	in-vitro
O=C(O)[C@H]1CCCCN1C(=O)CC1CC1	37437100	MJJORWCAKRMUJD-SECBINFHSA-N	211.261	1.252	0	30	BDAC	
O=C1CCC(=O)N1CNc1c(F)cccc1F	138597	AVGQIRKKQHHXNA-UHFFFAOYSA-N	240.209	1.483	0	30	BDAC	
CC(C)(C)SCCNC(=O)[C@@H]1C[C@H]1C(=O)O	6615412	NDKBLRFRBGWKTG-HTQZYQBOSA-N	245.344	1.355	0	30	BDAC	
NC[C@@H](O)c1ccc(F)c(Br)c1	20216681	UJBTVWSRZMUEEX-MRVPVSSYSA-N	234.068	1.580	0	30	BDAC	
COC(=O)[C@H]1NCC2(CC2)c2ccccc21	950757522	NFXFNLIAROAQKH-NSHDSACASA-N	217.268	1.536	0	30	BDAC	
CCC(COC(N)=O)(COC(N)=O)C(C)C	5819250	CNVIJMYLRLPXNY-UHFFFAOYSA-N	232.280	1.229	0	30	BDAC	
COC(=O)[C@H]1Cc2c(C)cccc2CN1	38416857	NLRAHUYZGDKTFK-LLVKDONJSA-N	205.257	1.182	0	30	BDAC	
C[Si](C)(C)c1n[nH]nc1Br	306477751	AIFAHRFQNXXJMO-UHFFFAOYSA-N	220.146	1.112	0	30	BDAC	
CC(C)(C)c1ccc(OS(N)(=O)=O)cc1	13520237	JSGFVHXKEVDABH-UHFFFAOYSA-N	229.301	1.566	0	30	BDAC	
O=C(O)C=CC1=CCCC2(C1)OCCO2	2265233855	FWFDDYZZFODCDR-UHFFFAOYSA-N	210.229	1.481	0	30	BDAC	
c1ncn(-c2ccc(CNC3CC3)cc2)n1	34653426	IXXZZAXEPBBYGW-UHFFFAOYSA-N	214.272	1.519	0	30	BDAC	in-vitro
N[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)C1	72265901	ZMHVOVQAUQAVMY-VXGBXAGGSA-N	234.299	1.793	0	30	BDAC	
O=C1NCCc2[nH]c3ccc(F)cc3c21	114612011	MRAOJMZEBWCXOA-UHFFFAOYSA-N	204.204	1.593	0	30	BDAC	
COCC(=O)Nc1sccc1C(=O)OC	115970	YDCNSINAIASMSA-UHFFFAOYSA-N	229.257	1.120	0	30	BDAC	
CCCCCCOC(=O)[C@H](C)OC(=O)[C@H](C)O	1724033	GVMIXAYWPARWDD-UWVGGRQHSA-N	246.303	1.422	0	30	BDAC	
COC(=O)C[C@H](N)Cc1ccc(F)cc1	74480561	XDHHKEGYDULDQY-SNVBAGLBSA-N	211.236	1.259	0	30	BDAC	
O[C@H](Cc1ncccn1)C(Cl)(Cl)Cl	71973356	VUJWYIGJVWAAGR-RXMQYKEDSA-N	241.505	1.750	0	30	BDAC	
Brc1cn2c(n1)CCCC2	84326688	RIUIZRCFHHTARZ-UHFFFAOYSA-N	201.067	1.982	0	30	BDAC	in-vitro
NCCc1nnc(-c2ccc(F)cc2)s1	40541847	RWTODMAPIZJMCU-UHFFFAOYSA-N	223.276	1.845	0	30	BDAC	
O=C(O)Cc1ccc(-c2ccccn2)nc1	95830654	CGZHSQACIUIYHD-UHFFFAOYSA-N	214.224	1.771	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@]2(N)C[C@H]2C1	757175253	KVKXZCMOLBVQBH-JOYOIKCWSA-N	226.320	1.735	0	30	BDAC	
Cc1ncc(C=O)cc1Br	71260716	YOKBWADWPYRVJS-UHFFFAOYSA-N	200.035	1.965	0	30	BDAC	
CS(C)(=O)=Nc1nc(C(=O)O)cs1	958678496	DXDIZHORBYAVSD-UHFFFAOYSA-N	220.275	1.200	0	30	BDAC	
Cc1ccnc(NC(=O)[C@@H]2CCCNC2)c1	19844236	HZMMZNCHGLRPMP-SNVBAGLBSA-N	219.288	1.328	0	30	BDAC	
FC(F)(F)Oc1ccccc1N1CCNCC1	34434918	NONHMRZXKRBXRX-UHFFFAOYSA-N	246.232	1.995	0	30	BDAC	
CCOC(=O)[C@@H]1CNC[C@H]2CCCC[C@@H]21	95740419	TVVSTLWLDOBLBA-OUAUKWLOSA-N	211.305	1.575	0	30	BDAC	
Nc1nc(O)nc2cc(Br)ccc12	238668524	GDQXYNADOKSPOL-UHFFFAOYSA-N	240.060	1.680	0	30	BDAC	
O[C@@H]1CCCn2c1cnc2Br	258552350	RBFKJVJPSUOHRU-ZCFIWIBFSA-N	217.066	1.473	0	30	BDAC	
O=C(O)c1ccc(O)cc1C1CCNCC1	722022058	SMFPURJQUPGHQO-UHFFFAOYSA-N	221.256	1.557	0	30	BDAC	
CC(C)(O)C(C)(C)OB(O)C1(C2CC2)CC1	2265369587	KMSOFYPDDCARCP-UHFFFAOYSA-N	226.125	1.977	0	30	BDAC	
CCOC(=O)c1cccnc1-n1ccnc1	95347789	ACRVAUFUMUYUDQ-UHFFFAOYSA-N	217.228	1.444	0	30	BDAC	in-vitro
CC(=O)Nc1ccc(C2(C(=O)O)CC2)cc1	122652461	UPEJXZQHZWDUBE-UHFFFAOYSA-N	219.240	1.761	0	30	BDAC	
Cn1c(NCCO)cnc1-c1ccccc1	39109928	CZFBDWOAHFHREL-UHFFFAOYSA-N	217.272	1.491	0	30	BDAC	
COc1ccc([S@](=O)O)c(C(F)(F)F)n1	1535370283	WJJOKRVHKCQULM-UHFFFAOYSA-N	241.190	1.690	0	30	BDAC	
FC(F)(F)c1nc2c(s1)CCNC2	40434628	VFGXVHGKMDVJED-UHFFFAOYSA-N	208.208	1.808	0	30	BDAC	
C[C@@H](OC(C)(C)C)[C@@H](C(=O)O)N(C)C	238406005	DGXPEQAYAJNYSK-SFYZADRCSA-N	203.282	1.205	0	30	BDAC	
CCN(CC)c1nc(NC(C)C)nc(OC)n1	2033088	STMMVKNOSKBEEI-UHFFFAOYSA-N	239.323	1.547	0	30	BDAC	
O=C(O)C[C@H](O)COCc1ccccc1	34569648	TYPNZNYQWFIUOK-JTQLQIEISA-N	210.229	1.039	0	30	BDAC	in-vitro
COc1ccc(OC)c2c1C[C@@H]2C(=O)O	35049935	DCRFVEFGQKRCAR-ZETCQYMHSA-N	208.213	1.428	0	30	BDAC	
O[C@@H]1CCCN(c2ccc(Cl)nn2)C1	35189055	KPHWCJVBMSJJCJ-SSDOTTSWSA-N	213.668	1.091	0	30	BDAC	
CC[C@H]1CN(CC(C)(C)O)[C@H](CC)CN1	83117735	VACVPDFFRSEHPU-WDEREUQCSA-N	214.353	1.220	0	30	BDAC	in-vitro
CNC[C@H]1CCCN(c2cncc(C)n2)C1	12370621	CBRQUNBWUQBINE-LLVKDONJSA-N	220.320	1.221	0	30	BDAC	in-vitro
c1ccn2c(C[C@H]3CCCNC3)nnc2c1	54301114	SFVJAVLMNPHPFP-SNVBAGLBSA-N	216.288	1.271	0	30	BDAC	
NCCc1noc(COc2ccc(F)cc2)n1	843129487	SKESSCVGQSCZFV-UHFFFAOYSA-N	237.234	1.289	0	30	BDAC	
COC(=O)C[C@H](Cc1ccccc1)C(=O)OC	21993029	RWYYXMPWROIWLA-NSHDSACASA-N	236.267	1.581	0	30	BDAC	
CN1CCC(C2=NO[C@@H]3NCCCC=C23)CC1	38805211	VKETYIRKRDHWGJ-ZDUSSCGKSA-N	235.331	1.350	0	30	BDAC	
CN(C)CCOc1ccc2[nH]c(C(=O)O)cc2c1	39171463	GSIOXRJRNJLKNZ-UHFFFAOYSA-N	248.282	1.807	0	30	BDAC	
CNC1(CNC(=O)OC(C)(C)C)CC1	214239529	APLZBOXSYKZOHC-UHFFFAOYSA-N	200.282	1.263	0	30	BDAC	
NS(=O)(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	82863173	LFDIWWQXKBCPHA-NTSWFWBYSA-N	231.239	1.396	0	30	BDAC	
O=[S@@](CCO)c1cc(F)cc(Cl)c1	1772717727	DKFQBIXSOKHXJO-ZDUSSCGKSA-N	222.668	1.579	0	30	BDAC	
CC(C)(C)OC(=O)N1CCCC[C@@H](N)C1=O	328578527	OIAUYWNWFAVVNK-MRVPVSSYSA-N	228.292	1.261	0	30	BDAC	
O=C(O)CC[C@H]1CCC[C@H](CCC(=O)O)C1=O	4336270	VNBPUTCYQIGOAH-RKDXNWHRSA-N	242.271	1.701	0	30	BDAC	
O=C1NC(=O)[C@H](Cc2ccc(O)cc2F)S1	72233010	KWQHLYVBSYUDRX-QMMMGPOBSA-N	241.243	1.425	0	30	BDAC	
Cc1cccc2nc([C@H]3CNCCO3)cn12	82974636	VQXYVKULVLMAMW-LLVKDONJSA-N	217.272	1.304	0	30	BDAC	in-vitro
S=C1NCN(CCCCc2ccccc2)CN1	20458762	VXBFMPCBGJAGNV-UHFFFAOYSA-N	249.383	1.704	0	30	BDAC	
O=C(O)c1ccc(-c2cc(=O)[nH]s2)cc1	83021858	APICOYKTGXZQLM-UHFFFAOYSA-N	221.237	1.802	0	30	BDAC	
C#CC[C@]1(OC(C)=O)CCN(C)C[C@@H]1CC	396142451	QPSFQMZFAPJFBD-STQMWFEESA-N	223.316	1.673	0	30	BDAC	
O=C(O)C[C@@H](c1ccon1)C(F)(F)F	716314132	FJRZGUSLRMVAEJ-BYPYZUCNSA-N	209.123	1.795	0	30	BDAC	
CC(C)(C)NC(=O)[C@@H](N)Cc1ccco1	2526451	AYTKTANCSHIZCK-VIFPVBQESA-N	210.277	1.064	0	30	BDAC	
COc1cccc([C@H](N)C(F)(F)F)n1	95761231	VHGANISUJBOFSQ-ZETCQYMHSA-N	206.167	1.652	0	30	BDAC	in-vitro
COC(=O)[C@@H]1CCCN[C@@H]1C(F)(F)F	107469835	XGQFXQBGSMIIPC-RITPCOANSA-N	211.183	1.090	0	30	BDAC	
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)OC	114680976	UETSWVCUPQBUGT-MRVPVSSYSA-N	246.307	1.310	0	30	BDAC	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCC2	118404452	DDRJACWVUYHXHI-UHFFFAOYSA-N	236.227	1.878	0	30	BDAC	
C[C@@H](O)c1ncccc1Br	125443285	XEBDEXIOOONSJK-RXMQYKEDSA-N	202.051	1.897	0	30	BDAC	
O=C1NC(S)=N[C@@H]1c1ccc(Cl)cc1	133269562	HYKJAZABPZMBSQ-SSDOTTSWSA-N	226.688	1.797	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)O)CO1	584880040	LIIMUSRCFSVPAE-IUCAKERBSA-N	244.287	1.598	0	30	BDAC	
COc1cccc([C@@H]2[C@@H](N)CCN2C2CC2)c1	70299717	LNCNFGRZOJOWPW-UONOGXRCSA-N	232.327	1.932	0	30	BDAC	in-vitro
COC(=O)[C@H]1CNC[C@@H]1c1ccc(F)cc1F	95829314	OIUJTHGEWAFCET-ZJUUUORDSA-N	241.237	1.441	0	30	BDAC	in-vitro
CO[C@@H](O)[C@@](C)(F)C(=O)c1ccccc1	39055555	YHOZXUMZFSCQBD-MNOVXSKESA-N	212.220	1.562	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@H](CON)C1	32015930	AQQVITRJICCNME-VIFPVBQESA-N	230.308	1.524	0	30	BDAC	
Cc1cc(O)c(C(=O)c2cn[nH]c2)cc1C	95935441	OQLZGXYVFIPBGY-UHFFFAOYSA-N	216.240	1.963	0	30	BDAC	
CCOC(=O)[C@H]1CNc2cccc(C)c2O1	90470894	NTHSJGDRGIEPKD-SNVBAGLBSA-N	221.256	1.731	0	30	BDAC	
CCOC(=O)c1c(C)cc(OC)cc1O	5650682	PJOOIAZRUIIQMU-UHFFFAOYSA-N	210.229	1.886	0	30	BDAC	biogenic
CCOC(=O)N1CCC(CCCO)CC1	34422947	YFNSVTKRYJNZKK-UHFFFAOYSA-N	215.293	1.627	0	30	BDAC	in-vitro
COCc1cccc(Br)n1	95218298	AVRFGDUMTXKMNR-UHFFFAOYSA-N	202.051	1.991	0	30	BDAC	in-vitro
C[C@@H]1[C@@H](O)C[C@@H]1NC(=O)OC(C)(C)C	214301266	STBOUGNAXSXNBH-FXQIFTODSA-N	201.266	1.280	0	30	BDAC	
N=c1nc([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)nc(O)[nH]1	2265340003	DUAQZQPORVSDBZ-LZFPZTGBSA-N	246.314	1.458	0	30	BDAC	
Cc1nc(Cl)nc2c1NC(=O)[C@H](C)N2C	235372051	HUXJAOAEDUBAAW-YFKPBYRVSA-N	226.667	1.215	0	30	BDAC	
COc1ccc(C(=O)CCn2cncn2)cc1	95348309	MGQQHBPLUHITEX-UHFFFAOYSA-N	231.255	1.560	0	30	BDAC	in-vitro
CO[C@H](O)[C@](C)(F)C(=O)c1ccccc1	39055554	YHOZXUMZFSCQBD-WDEREUQCSA-N	212.220	1.562	0	30	BDAC	
COc1ccc(C(=O)C2CCNCC2)c(O)c1	39389867	MEKSXLSAYLIUHI-UHFFFAOYSA-N	235.283	1.583	0	30	BDAC	in-vitro
Oc1ccc2c(c1O)CCC[C@@]21CCNC1	39098111	FIPHBPNXJLXPCQ-ZDUSSCGKSA-N	219.284	1.665	0	30	BDAC	
CC(C)(C)OC(=O)N1CCN(CCF)C(=O)C1	80641686	AXGWTYMUIFRLSY-UHFFFAOYSA-N	246.282	1.035	0	30	BDAC	
CCc1cc(P(=O)(O)O)cc(CC)c1O	39102926	DTXINNDQSAARIT-UHFFFAOYSA-N	230.200	1.320	0	30	BDAC	
CCOc1cc(N)c(C(C)=O)cc1OC	40441624	UJKDGZXNBSIEPZ-UHFFFAOYSA-N	209.245	1.879	0	30	BDAC	
O=C(OCc1ccccc1)N1CCCO1	306387934	UQYSDTFTMIJZTO-UHFFFAOYSA-N	207.229	1.961	0	30	BDAC	
CC[C@@H](C)[C@@H]1COC(=O)N1C1CCNCC1	206419751	AFFUVFKAZLRYON-KOLCDFICSA-N	226.320	1.605	0	30	BDAC	
O=C1CC2(CCNCC2)c2cccnc2N1	95831217	LTHHSSAETACXDL-UHFFFAOYSA-N	217.272	1.045	0	30	BDAC	
C[S@@](=O)Cc1ccc([S@](C)=O)cc1	221196198	VISBHIRBQQIRON-OLZOCXBDSA-N	216.327	1.303	0	30	BDAC	
Brc1ncn(CC2CC2)n1	287334766	WGTVZYDRUVHVDL-UHFFFAOYSA-N	202.055	1.451	0	30	BDAC	in-vitro
COc1ccccc1OC[C@@H]1NCCS1	27562020	RVDKSQDMEIWCNB-LLVKDONJSA-N	225.313	1.737	0	30	BDAC	
CC(C)C[C@H](NC(=O)OC(C)C)C(=O)O	44238959	FQROXDSJFXVSJU-QMMMGPOBSA-N	217.265	1.620	0	30	BDAC	
CCOC(=O)[C@@H]1CCC(=O)[C@@]2(CC)O[C@]12C	396060516	RNQLYGHXWJUCTO-XXILOJSOSA-N	226.272	1.466	0	30	BDAC	
COC(=O)N(C)C[C@@H]1CCCN(C)C1	258846931	UCSROEHRMYHEAU-SECBINFHSA-N	200.282	1.026	0	30	BDAC	
CNC(=O)[C@@H](c1ccc(C)cc1)C1CCNCC1	2265384993	OISXUOVZKRJUBN-AWEZNQCLSA-N	246.354	1.824	0	30	BDAC	
Cc1c(Cl)cc(N)cc1S(=O)(=O)O	2584560	JNAFLISQSIEQJI-UHFFFAOYSA-N	221.665	1.477	0	30	BDAC	
O[C@H]1C=Cc2ccc3ncccc3c2[C@H]1O	34120011	NCMNKLTXFXNWHC-AAEUAGOBSA-N	213.236	1.656	0	30	BDAC	
CC1(C)O[C@H]2OCCO[C@@H]2OC1(C)C	32231256	DKDKQWHTKRTRMX-HTQZYQBOSA-N	202.250	1.289	0	30	BDAC	
Nc1cncc(N)c1NCC[C@@H]1CCCNC1	205035700	GVLVCLCTGQHOMS-VIFPVBQESA-N	235.335	1.048	0	30	BDAC	
CN(C)C=C([C@@H]1OC(=O)c2ccccc21)[N+](=O)[O-]	12861164	PTWVMEXWFIHWRA-LLVKDONJSA-N	248.238	1.578	0	30	BDAC	
COc1ccc(-c2cc(N)nc(N)n2)cc1	82261	JVWGRSYEFVJHCX-UHFFFAOYSA-N	216.244	1.317	0	30	BDAC	
COc1ccc(NC(=O)C[C@@H](C)O)cc1	6666275	ALNDNTRJUIATNA-MRVPVSSYSA-N	209.245	1.405	0	30	BDAC	
O=C(O)c1cc(-c2ccc3c(c2)OCCO3)no1	20264923	AWBFUDHBUUYNFA-UHFFFAOYSA-N	247.206	1.811	0	30	BDAC	
CC(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2C	100217960	WLCUVGWBRIUSEB-SSDOTTSWSA-N	203.241	1.969	0	30	BDAC	
O=C(O)[C@@H]1CCO[C@H](c2ccccc2)O1	145389509	AWRXHWTXLRTSEO-ONGXEEELSA-N	208.213	1.575	0	30	BDAC	in-vitro
COC[C@H]1CCN(c2ccc(C(=O)O)cc2)C1	81067553	ZYUJWJNYCTYSDH-JTQLQIEISA-N	235.283	1.858	0	30	BDAC	
C[C@H]1Oc2c(cc(Cl)cc2[N+](=O)[O-])NC1=O	35905008	CRTCJHAKHGAYMI-SCSAIBSYSA-N	242.618	1.968	0	30	BDAC	
CN1CCc2nc(Cl)c(C(=O)O)cc2C1	83050416	SEBVJYQAUYRBCF-UHFFFAOYSA-N	226.663	1.421	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(=O)NCC1(C)C	145831295	RLHNKFYDRHHRGW-UHFFFAOYSA-N	228.292	1.132	0	30	BDAC	
CCOC(=O)C(C(=O)OCC)c1ccncc1	39260453	HWYBMGUNWYDSPJ-UHFFFAOYSA-N	237.255	1.291	0	30	BDAC	
CCO[C@H]1C=C(Br)C(=O)O1	196332739	XNYLDQSINPDYOW-RXMQYKEDSA-N	207.023	1.185	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](CN)C1(C)C	216549945	CLVOTKNVQUZLEX-SECBINFHSA-N	228.336	1.981	0	30	BDAC	
O=C1C=CC(=O)N1c1cc(F)ccc1F	97850	HONPVTZIVPWBET-UHFFFAOYSA-N	209.151	1.394	0	30	BDAC	
O=C(O)[C@H]1CCc2nc(C(F)(F)F)cn2C1	75989938	JMXRIOMJHLFHMD-YFKPBYRVSA-N	234.177	1.549	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1CO	84314373	NENLUIYSIMOZOY-NXEZZACHSA-N	229.320	1.920	0	30	BDAC	
Cc1ccc2cc(S(N)(=O)=O)ccc2c1	205187101	UDOJPASACKCDQY-UHFFFAOYSA-N	221.281	1.796	0	30	BDAC	
O=C(O)[C@@H]1CCn2c(cnc2Br)C1	211313624	JRADPOJQANPXFM-RXMQYKEDSA-N	245.076	1.293	0	30	BDAC	
C[C@@H](NS(C)(=O)=O)c1ccc(C=O)cc1	215673017	NZANNRRPTURUBK-MRVPVSSYSA-N	227.285	1.109	0	30	BDAC	in-vitro
CC(=O)OC[C@](C)(N)C(=O)c1ccccc1	141065915	KGUUMGWIXIGYOP-LBPRGKRZSA-N	221.256	1.150	0	30	BDAC	
CSc1cnc(C2OCCO2)s1	584880121	FAJOTBLZNGILSD-UHFFFAOYSA-N	203.288	1.910	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)Nc1nccnc1C(=O)O	2583114	FYMXMLSCEGBHRW-UHFFFAOYSA-N	239.231	1.522	0	30	BDAC	
COc1ccc(Cn2cc(O)cn2)cc1	223559468	WZRGYSXJLPRPOO-UHFFFAOYSA-N	204.229	1.646	0	30	BDAC	
CC[C@@H](O)CN1CCSC(C)(C)C1	83690384	DUPGHMJFXSAIRK-SECBINFHSA-N	203.351	1.585	0	30	BDAC	
CCOC(=O)[C@@]1(F)CNC[C@]1(C)C(F)(F)F	709740763	BNEDUBQKGUCOIP-YUMQZZPRSA-N	243.200	1.430	0	30	BDAC	
COc1cc2c(cc1OC)-c1nncn1CC2	3607446	OMHHCEOQISUAHU-UHFFFAOYSA-N	231.255	1.518	0	30	BDAC	
Sc1nnnn1CCc1ccc(Cl)cc1	100336	SRGXOLSEKLBZQI-UHFFFAOYSA-N	240.719	1.858	0	30	BDAC	
CC(C)(C)OC(=O)NC1CC2(C1)C[C@H]2C(=O)O	958718765	VEYAKPONFIPPFW-XIGTVVQJSA-N	241.287	1.764	0	30	BDAC	
Nc1cnc(Cl)nc1Br	215542959	BJBDSKYIICCEAU-UHFFFAOYSA-N	208.446	1.475	0	30	BDAC	
Cc1nc(C2CCOCC2)ncc1C(=O)O	83719820	ZZQHHXLPKNJWJV-UHFFFAOYSA-N	222.244	1.377	0	30	BDAC	
Cc1nn(C)c2nc(Cl)cc(NN)c12	584879890	ZMZKFCKWLRCSHL-UHFFFAOYSA-N	211.656	1.216	0	30	BDAC	
CCOCCOP(=O)(O)OCCOCC	38647426	LYBYLVMWDKBFTO-UHFFFAOYSA-N	242.208	1.193	0	30	BDAC	
CCOC(=O)[C@@H]1C[C@@]1(CC)CCCO	39100637	OUBXOBPUTXVVRG-GXSJLCMTSA-N	200.278	1.738	0	30	BDAC	
Cc1cn2ccc(N)c(Br)c2n1	95830759	WGJMGJSCEUNWAP-UHFFFAOYSA-N	226.077	1.987	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H]1CN2	96028309	XRDBVKRCVDIYCZ-BDAKNGLRSA-N	212.293	1.358	0	30	BDAC	
CCOC(=O)C[C@@H](O)c1ccc(O)cc1	52248697	VFECLPAQJPJOEU-SNVBAGLBSA-N	210.229	1.379	0	30	BDAC	
CCOC(=O)C1CCC2(CCNC2)CC1	261285767	XLTLZWLJRAVCCN-UHFFFAOYSA-N	211.305	1.719	0	30	BDAC	
Cc1ccccc1N1CCC(=O)CC1=O	86475989	CMWHQDUAVIYQSV-UHFFFAOYSA-N	203.241	1.691	0	30	BDAC	
COC(=O)[C@H](O)C1CCC(F)(F)CC1	688280316	QBPKXOPBGOJMGU-SSDOTTSWSA-N	208.204	1.346	0	30	BDAC	
COC(OC)[C@@H](O)OCCc1ccccc1	3604089	CSUCHWPVXAASIC-NSHDSACASA-N	226.272	1.183	0	30	BDAC	
CC[C@H](CO)CNC(=O)OC(C)(C)C	144980249	KNSROTBVKXGNJD-QMMMGPOBSA-N	203.282	1.530	0	30	BDAC	
CC(C)NC[C@@H](O)COc1ccccc1O	33505728	BBBJVUYZNPTHJG-SNVBAGLBSA-N	225.288	1.130	0	30	BDAC	
CN(CCc1ccccc1)[C@@H]1CCNC1	70892530	WUWSOFIEGIELJA-CYBMUJFWSA-N	204.317	1.523	0	30	BDAC	in-vitro
Brc1ccc([C@H]2COCCN2)cn1	95692449	RMTHREWRDFQBCR-MRVPVSSYSA-N	243.104	1.505	0	30	BDAC	
COc1ccc(OC)c(-c2cnnc(OC)n2)c1	33868567	KUFWSBDCUQGXOJ-UHFFFAOYSA-N	247.254	1.564	0	30	BDAC	
CC(=O)Nc1cnnc2ccc([N+](=O)[O-])cc12	238790745	ZCKPXIHVXMJKEJ-UHFFFAOYSA-N	232.199	1.496	0	30	BDAC	
CC(C)NC[C@@H](O)COc1cccc2c1CCC2	5760543	GZDBSFAQFPWZFV-CYBMUJFWSA-N	249.354	1.913	0	30	BDAC	
O=C(OCc1ccccc1)N1C[C@@H]2NCC[C@@H]21	218579804	YBLYJVWXMJIJDA-RYUDHWBXSA-N	232.283	1.369	0	30	BDAC	
Cn1c(I)cnc1Cl	238535175	QKYSZSAEXHEGFF-UHFFFAOYSA-N	242.447	1.678	0	30	BDAC	
N[C@H](c1ccc(Cl)c(F)c1)c1nnn[nH]1	49808717	FDTYKSPBTLKLGK-SSDOTTSWSA-N	227.630	1.040	0	30	BDAC	in-vitro
CCOC(=O)C1(C(F)(F)F)CCNCC1	115740272	AHRBNYBJXZIZAI-UHFFFAOYSA-N	225.210	1.482	0	30	BDAC	
C[C@@H](NCCN1CCNCC1)C1CCCCC1	39170979	ROZHQQLQWGEQJL-CYBMUJFWSA-N	239.407	1.450	0	30	BDAC	
Cn1ncc(C(F)(F)F)c1[S@](=O)O	675063050	XSPSIQJCZSBHKV-UHFFFAOYSA-N	214.168	1.020	0	30	BDAC	
C[C@H]1O[C@]2(C)O[C@@H]1[C@]1(C)O[C@H](C)[C@H]2O1	103721447	YGJPESKBKFTJGW-DAORTFEHSA-N	200.234	1.040	0	30	BDAC	
Cn1cnnc1Sc1cccc(F)c1N	37420606	SFPSYFWYVFVQIG-UHFFFAOYSA-N	224.264	1.688	0	30	BDAC	in-vitro
CC(=O)c1c(O)ccc2c(C)cc(=O)[nH]c12	45805412	HMASCMSJBYLPSX-UHFFFAOYSA-N	217.224	1.745	0	30	BDAC	
Cc1ncsc1CN(C)C[C@@H]1CCNC1	70543192	RFQYNJPICQWNJS-SNVBAGLBSA-N	225.361	1.493	0	30	BDAC	in-vitro
CCOC(=O)c1n[nH]c([C@@H](O)c2ccccc2)n1	88611711	VNEPAABHYGJRHF-VIFPVBQESA-N	247.254	1.063	0	30	BDAC	in-vitro
CC(C)(CO)NC(=S)Nc1ccccc1F	71870	ICRAGLKPPVDBRW-UHFFFAOYSA-N	242.319	1.883	0	30	BDAC	
Cc1cc(C)c(O)c(C(=O)c2cn[nH]c2)c1	95935414	MMBANPULFAZSDW-UHFFFAOYSA-N	216.240	1.963	0	30	BDAC	
Cn1c(NC(=O)OC(C)(C)C)cnc1C(=O)O	725270886	UNXKHDKLFXEXBG-UHFFFAOYSA-N	241.247	1.465	0	30	BDAC	
O=C1NCc2c(Br)cncc21	307388470	OFZZIDRUKYVXPE-UHFFFAOYSA-N	213.034	1.088	0	30	BDAC	
CC[C@H](CCCC(=O)OC)C(=O)OC	39603731	MMZVDLQEASJIKQ-MRVPVSSYSA-N	202.250	1.529	0	30	BDAC	
COc1ncc(Br)c(Cl)n1	71864185	CUJKVRNKYMBUGX-UHFFFAOYSA-N	223.457	1.901	0	30	BDAC	in-vitro
COC[C@H](N)c1cc(F)c(F)c(F)c1	84191559	XWXXMFALIKKIKK-QMMMGPOBSA-N	205.179	1.750	0	30	BDAC	in-vitro
CC(C)NC[C@H](O)COc1cccc2c1CC=C2	3627431	SAWHVYHGMYAXLH-ZDUSSCGKSA-N	247.338	1.994	0	30	BDAC	in-vitro
NC(=O)[C@@H]1CCCN(c2ccc(C(=O)O)cc2)C1	20079706	POZFBOCPKOCIHY-SNVBAGLBSA-N	248.282	1.087	0	30	BDAC	
COCCOCCNc1ccc(N)c(C)c1	33610833	AOLGFPDCWWJUQJ-UHFFFAOYSA-N	224.304	1.652	0	30	BDAC	
FC(F)(F)Oc1ccc2[nH]nnc2c1	96327172	ZBKOEDPZYGOCAH-UHFFFAOYSA-N	203.123	1.857	0	30	BDAC	
Cc1nn(C)c2c1CN[C@@H]1CCCC[C@H]1O2	725712438	VZGLTACTAMMYRL-GHMZBOCLSA-N	221.304	1.522	0	30	BDAC	
COC(=O)[C@H]1Cc2ccccc2N1C(C)=O	2539949	OLNXWFGVNGEHRF-LLVKDONJSA-N	219.240	1.137	0	30	BDAC	
CC(C)(C)OC(=O)NC1CC(CCN)C1	709594430	ZJZXBMLQEHSJGB-UHFFFAOYSA-N	214.309	1.639	0	30	BDAC	
COc1cccc(CN2CCC[C@@H](C(=O)O)C2)c1	3749271	SIICTGGICRIQIF-GFCCVEGCSA-N	249.310	1.992	0	30	BDAC	
CC(F)(F)c1nnc(Br)o1	306397522	JPFCDSWBPHCMSS-UHFFFAOYSA-N	212.981	1.944	0	30	BDAC	
COC(=O)[C@@H](N)Cc1ccc(Cl)c(F)c1	69554716	FIUKYBQYATXIMF-VIFPVBQESA-N	231.654	1.522	0	30	BDAC	
COc1ccc(C(=N)N)c(Br)c1	84296377	ASXHNLRCDHPMNU-UHFFFAOYSA-N	229.077	1.742	0	30	BDAC	
CCOC(=O)Cn1nc(C)cc1Cl	85019850	IVDWRSMHUUIEPI-UHFFFAOYSA-N	202.641	1.408	0	30	BDAC	
NC1(c2cccc([C@H]3COCCO3)c2)CC1	95938195	PSMQNLQRQYXXMY-GFCCVEGCSA-N	219.284	1.722	0	30	BDAC	
Ic1cscn1	95630085	CJRJEMASMWBMLP-UHFFFAOYSA-N	211.027	1.748	0	30	BDAC	
COC(=O)C[C@@](C)(N)c1ccccc1F	86851629	JLOWLVXBZKPDNL-LLVKDONJSA-N	211.236	1.563	0	30	BDAC	in-vitro
O=C1CCC(C=Cc2ccccc2)=NN1	2265233872	BHAMKLMGLDPCFV-UHFFFAOYSA-N	200.241	1.966	0	30	BDAC	
Cn1cc(CC(=O)O)c2ccccc2c1=O	295531	NDMKUEZBAXIIDD-UHFFFAOYSA-N	217.224	1.166	0	30	BDAC	
CCOC(=O)[C@@H]1CCC(=O)C(F)(F)CC1	1535539237	SXXYDJREABSKJV-SSDOTTSWSA-N	220.215	1.944	0	30	BDAC	
COC(=O)C[C@H](N)Cc1ccc(C)cc1	74479380	LOHMDJMUHOWLHD-LLVKDONJSA-N	207.273	1.428	0	30	BDAC	
CC(=O)N[C@](C)(C(=O)O)c1cccs1	5480961	SHRLZICKJQOCES-VIFPVBQESA-N	213.258	1.184	0	30	BDAC	
O=C1CCC2(OCCO2)[C@@H]2CCCC[C@@H]12	44137104	PJQROJJVYBFOHH-NXEZZACHSA-N	210.273	1.899	0	30	BDAC	
CCOC(=O)[C@@H]1CNC[C@]1(C)C(F)F	698803248	JDLGFEFWVGZJCM-RCOVLWMOSA-N	207.220	1.040	0	30	BDAC	
COc1cccc2c1C[C@@H](NC(C)=O)CC2	13741583	VDJCYVYVTWEIPD-NSHDSACASA-N	219.284	1.689	0	30	BDAC	in-vitro
c1ccc(-c2ncc3c(n2)CCNC3)nc1	35269676	LKBLOVYSBYXPIE-UHFFFAOYSA-N	212.256	1.184	0	30	BDAC	
C[C@H]1CCN2C(=O)c3ccccc3[C@H]2N1	39105115	UNHBIGQAVITGJE-KWQFWETISA-N	202.257	1.523	0	30	BDAC	
CC(=O)c1cc(C(C)=O)nc(C(C)=O)c1	35653801	FTCWYGHVMOFNFE-UHFFFAOYSA-N	205.213	1.689	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](O)C[C@@H]21	259498304	PBUPRYWYQIUHKS-CIUDSAMLSA-N	213.277	1.377	0	30	BDAC	
CC(=O)c1cc(Br)nn1C	693073546	QMCJSGVYYHLENK-UHFFFAOYSA-N	203.039	1.385	0	30	BDAC	
C[C@@H]1CNCCN1c1cc(F)cc(F)c1	83086524	XIBGROAXEIYBKJ-MRVPVSSYSA-N	212.243	1.763	0	30	BDAC	
NC(=O)c1cnc(-c2cccc(F)c2)nc1	35323380	KRCLQMVSFMOGEH-UHFFFAOYSA-N	217.203	1.382	0	30	BDAC	
NCCCNCCCNCc1ccccc1	34578663	HFURCNAFWPLZPS-UHFFFAOYSA-N	221.348	1.105	0	30	BDAC	
CC(C)(F)Cn1cc(C(=O)O)ccc1=O	886005121	OIVJXAIZBFJPKM-UHFFFAOYSA-N	213.208	1.295	0	30	BDAC	
O=C(O)CCc1cccc2c1OCCO2	82943013	GHFKRCCBOMTLMF-UHFFFAOYSA-N	208.213	1.475	0	30	BDAC	
C[C@H](N)CCCC(C)(C)OP(=O)(O)O	5734955	JUFGOWAGSGRBGQ-ZETCQYMHSA-N	225.225	1.392	0	30	BDAC	
CC[C@](Br)(C(N)=O)C(C)C	378	YQZUCYWIGWXZQO-SSDOTTSWSA-N	208.099	1.671	0	30	BDAC	in-man
CC(C)(C)OC(=O)NCC[C@@H]1CNCCCO1	76688669	IWTPDVLZZDQEJC-SNVBAGLBSA-N	244.335	1.280	0	30	BDAC	
O=C1CCCCC[C@H]1CN1CCC[C@@H]1CO	53929780	HOETYDLHHVSXHM-NWDGAFQWSA-N	225.332	1.593	0	30	BDAC	
Cc1ccc2nc(C(=O)O)c(C(=O)O)cc2c1	32099587	BODWUZRENXUAST-UHFFFAOYSA-N	231.207	1.940	0	30	BDAC	
CC(C)N(C)C[C@]1(O)CCOC(C)(C)C1	39109646	GPRLCNNBEUWACC-LBPRGKRZSA-N	215.337	1.647	0	30	BDAC	
CC[C@@H]1[C@H](C)C12C(=O)OC(C)(C)OC2=O	39101603	GFELICXFWNUSHP-NKWVEPMBSA-N	212.245	1.485	0	30	BDAC	
CCOC(=O)[C@@H]1CNc2cc(OC)ccc2O1	34521983	MSUMZAJAXGNAJK-NSHDSACASA-N	237.255	1.431	0	30	BDAC	
COc1cccc([C@@H](N)C(F)(F)F)n1	95761232	VHGANISUJBOFSQ-SSDOTTSWSA-N	206.167	1.652	0	30	BDAC	in-vitro
C[C@@H]1COC(=O)[C@@H]2CCCC[C@@H]2C(=O)O1	141714252	ORXDTHSDUGATMQ-HLTSFMKQSA-N	212.245	1.281	0	30	BDAC	
Fc1ccc2c(c1)[C@@H]1CNCCN1CC2	19788456	QGTCUEUPELDMPN-LBPRGKRZSA-N	206.264	1.328	0	30	BDAC	
Cc1[nH]c(=O)n([C@@H]2CCCCO2)c(=O)c1Cl	33506267	UWOPKGUIQOULAE-ZETCQYMHSA-N	244.678	1.198	0	30	BDAC	
CCc1ccc(OC)c([C@@H](N)C(=O)O)c1	3676851	RGZKHUIFUOKTGV-SNVBAGLBSA-N	209.245	1.342	0	30	BDAC	
C[C@H]1CNCCCN1Cc1ccccc1	62569191	FBACUGZJIQWNBG-LBPRGKRZSA-N	204.317	1.870	0	30	BDAC	
CO[C@@H]1NC(=O)C(C(C)C)(C(C)C)O1	32212724	YLWHBXUJCIMPRG-VIFPVBQESA-N	201.266	1.114	0	30	BDAC	
CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)O	59721900	KNBDVSSESAKBJM-SSDOTTSWSA-N	233.264	1.001	0	30	BDAC	
COC(=O)[C@@]12C[C@H]1CCN2C(=O)OC(C)(C)C	214705981	XNZDPPRFOSLQEL-PRHODGIISA-N	241.287	1.559	0	30	BDAC	
NCc1nc(-c2ccc(F)c(F)c2)c[nH]1	36870921	VOQUYJFLRKOHNA-UHFFFAOYSA-N	209.199	1.814	0	30	BDAC	
CO[C@@H]1C[C@@H](CN)N(Cc2ccccc2)C1	307364405	KCFCMCLIRLTYQM-QWHCGFSZSA-N	220.316	1.235	0	30	BDAC	
Cc1cc(N[N+](=O)[O-])ncc1Br	34873517	KQIBJJQDCWPIKH-UHFFFAOYSA-N	232.037	1.756	0	30	BDAC	
COC(=O)Cc1ccnc2c(O)cccc12	261271887	PPZCTDMSWRVPCC-UHFFFAOYSA-N	217.224	1.656	0	30	BDAC	
Brc1ncn(-c2ccccn2)n1	38363999	MJSLJIWJMXUAOD-UHFFFAOYSA-N	225.049	1.425	0	30	BDAC	
CNC(=O)c1sccc1Br	48151844	PFXHDUQSFQPSKB-UHFFFAOYSA-N	220.091	1.870	0	30	BDAC	
CN1CCN(c2c(F)cccc2C=O)CC1	145722595	XKVIZHKMCGJTIE-UHFFFAOYSA-N	222.263	1.390	0	30	BDAC	
OCC1(n2cc(Br)cn2)CC1	1535645121	UCIBJNSKKIUIRM-UHFFFAOYSA-N	217.066	1.127	0	30	BDAC	
COCC[C@@]1(N)CCN(C(=O)OC(C)(C)C)C1	215280028	GVVZEQDJYCQFIA-LBPRGKRZSA-N	244.335	1.361	0	30	BDAC	
C[C@@H](O)C1(c2ccccc2)CCNCC1	6036053	KZCXJZTWPDOBTQ-LLVKDONJSA-N	205.301	1.689	0	30	BDAC	
O=C(O)Cc1ccc(Br)c(O)c1	83072638	RMIUZKVIYWSGIS-UHFFFAOYSA-N	231.045	1.782	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CCC[C@H](N)[C@@H](F)C1	215170899	NBOGKMXMCRIGDG-IUCAKERBSA-N	232.299	1.683	0	30	BDAC	
O=NN1CCN(c2ccccc2F)CC1	2265365048	KMLAIZCSDCZRCD-UHFFFAOYSA-N	209.224	1.629	0	30	BDAC	
O=C1Nc2cc(Cl)ncc2C12CCNCC2	309512428	QXBNPVQAFZSWQV-UHFFFAOYSA-N	237.690	1.308	0	30	BDAC	
NNc1c(F)cc(C(=O)NC2CC2)cc1F	63007628	LLZQEKCAHAAOJC-UHFFFAOYSA-N	227.214	1.143	0	30	BDAC	in-vitro
CC(C)OC(=O)C1(C(=O)OC(C)C)CC1	20397765	YWRJBKMIMQFNPZ-UHFFFAOYSA-N	214.261	1.670	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2C=C(N)C[C@H]2C1	306265870	FQNLIKBCVNXITL-BDAKNGLRSA-N	224.304	1.716	0	30	BDAC	
COC(=O)C[C@H]1C(=O)C[C@H]1OC(C)(C)C	1535543643	MFZVZUCYJXGXED-IONNQARKSA-N	214.261	1.322	0	30	BDAC	
CC(C)(C)OC(=O)[C@@](C)(N)C(F)(F)F	86798415	KHWSJRKMRBXFMH-SSDOTTSWSA-N	213.199	1.608	0	30	BDAC	
CCOC(=O)[C@H](CC(C)=O)C(=O)C1CC1	616582155	GJSJGOUQIVJTLF-SECBINFHSA-N	212.245	1.124	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(=C(F)CO)C1	725242505	LRDFHBYWRGNSPI-UHFFFAOYSA-N	217.240	1.453	0	30	BDAC	
Ic1cn2c(n1)CCCC2	143025964	JKDWRRUSXAFFHR-UHFFFAOYSA-N	248.067	1.824	0	30	BDAC	
C[C@@H]1c2ccsc2CCN1S(C)(=O)=O	143637	RAPPFXJTHOGLCS-SSDOTTSWSA-N	231.342	1.627	0	30	BDAC	
C1CCN(Cc2nnnn2C2CCCC2)CC1	4190384	KQULFGVVJDMLEY-UHFFFAOYSA-N	235.335	1.774	0	30	BDAC	
COc1cc(CC[C@H](C)N)cc(OC)c1OC	62153453	HFAOLEZXAUSKMX-VIFPVBQESA-N	239.315	1.992	0	30	BDAC	
CCOC(=O)C(=O)CN1CCc2ccccc2C1	37189611	PLWGFTDSFBWPRA-UHFFFAOYSA-N	247.294	1.177	0	30	BDAC	
NCc1nc(-c2ccc(F)cc2F)c[nH]1	36870922	LYHIZUNNENSGPP-UHFFFAOYSA-N	209.199	1.814	0	30	BDAC	
COC(=O)C[C@H](C)CC(C)(C)C(=O)OC	6020373	UJDNTFQWEQKSCL-QMMMGPOBSA-N	216.277	1.775	0	30	BDAC	
CS(=O)(=O)c1cccc2c1NCCC2	95883715	UXBQXYDFBJLOBB-UHFFFAOYSA-N	211.286	1.448	0	30	BDAC	
CCc1csc(C(F)(F)C(=O)O)n1	258019123	HWIOYSSRFUEXND-UHFFFAOYSA-N	207.201	1.882	0	30	BDAC	
OCc1cncc(-c2ccc(Cl)nn2)c1	91351640	CHSLNEBIJHYJBM-UHFFFAOYSA-N	221.647	1.684	0	30	BDAC	
NCc1ccn2cc(C(F)(F)F)nc2c1	82967955	CUHKDMVGOGTNEL-UHFFFAOYSA-N	215.178	1.812	0	30	BDAC	
C[C@H]1C[C@H](NC(=S)NCCO)CC(C)(C)C1	3180570	VLVUHHONVJIBBY-UWVGGRQHSA-N	244.404	1.658	0	30	BDAC	
COc1cc(Br)ccc1[C@H](N)CO	72199020	IORLMMQRQVGMDV-MRVPVSSYSA-N	246.104	1.450	0	30	BDAC	
CCOC(=O)[C@@H](N)Cc1cccc(Cl)c1F	44342660	PYNIJNMVBKKGSZ-VIFPVBQESA-N	245.681	1.912	0	30	BDAC	
CCCCC[C@@H](CC)OCCCNC(=O)CO	96331653	SGWLJZWNTHPTLG-GFCCVEGCSA-N	245.363	1.861	0	30	BDAC	
Nc1cc(C(=O)O)cc(Br)n1	95642364	KAYIMZWPSQTZJI-UHFFFAOYSA-N	217.022	1.125	0	30	BDAC	in-vitro
CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1C(=O)O	196529148	WZBPRAWWMVOVKC-UHFFFAOYSA-N	238.199	1.560	0	30	BDAC	
C[C@H](CNC(=O)OC(C)(C)C)[S@](=O)O	2265384487	KZKJCGNKMBOJHT-ZCFIWIBFSA-N	223.294	1.121	0	30	BDAC	
CCOC(=O)C[C@@]1(O)CCc2ccccc21	52248531	LBPWIBKUCBQBAV-ZDUSSCGKSA-N	220.268	1.774	0	30	BDAC	in-vitro
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CCN)O1	687762676	DUXPNWAYHPWSLH-NXEZZACHSA-N	244.335	1.360	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](N)(C2)C1	258222200	LUKNMMRQVQVREC-JOYOIKCWSA-N	226.320	1.735	0	30	BDAC	
COC(C[C@](C)(O)C(F)(F)F)OC	1586237	RKHCLVUVSJETRU-LURJTMIESA-N	202.172	1.309	0	30	BDAC	in-vitro
O=C1CCCN(Cc2ccccc2)C1=O	95934689	YXCASZOHZLUBIF-UHFFFAOYSA-N	203.241	1.378	0	30	BDAC	
CC(C)(C)OC(=O)NC1(CCO)CCOCC1	116867654	ULRAZJURDBAFLQ-UHFFFAOYSA-N	245.319	1.443	0	30	BDAC	
Clc1ccc2c(N3CCNCC3)ncnc2c1	44960034	MIQLRWXGULIKCO-UHFFFAOYSA-N	248.717	1.693	0	30	BDAC	
N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O	49648036	XCEKZXIOKJIYBQ-SSDOTTSWSA-N	242.225	1.352	0	30	BDAC	in-vitro
CCOC(=O)c1c(C)nn2cccnc12	68150352	BWSGNJCQTWVCQP-UHFFFAOYSA-N	205.217	1.214	0	30	BDAC	
NC1(COc2ncccc2F)CCCC1	70876108	SGCYPMKLFQZSPK-UHFFFAOYSA-N	210.252	1.871	0	30	BDAC	
c1ccc(CNCCN2CCCCC2)nc1	38805156	ZUGQAFVDJFERAM-UHFFFAOYSA-N	219.332	1.657	0	30	BDAC	
O=C1CC(=O)[C@H](c2ccc(Cl)cc2)N1	238855500	SEKBLRVBQFUKMZ-JTQLQIEISA-N	209.632	1.470	0	30	BDAC	in-vitro
Cc1nn(C)c2c1NC[C@H]1CCCCN21	72266577	NDRKOYISWZTLQX-SECBINFHSA-N	206.293	1.513	0	30	BDAC	
Cc1nccc(I)n1	95830979	MTSMVADXHUTRBK-UHFFFAOYSA-N	220.013	1.390	0	30	BDAC	in-vitro
CC(=O)Nc1ccc(C(=O)O)c(C(=O)O)c1	5160627	HFRRJDNGAZANLR-UHFFFAOYSA-N	223.184	1.041	0	30	BDAC	
CC(C)(C)OC(=O)N1CCS[C@H](CCO)C1	584883086	SPRGPNAJDMIWRN-SECBINFHSA-N	247.360	1.721	0	30	BDAC	
c1ccc2c(N3CCNCC3)cncc2c1	36420849	NIBZKHUIJGTBOX-UHFFFAOYSA-N	213.284	1.644	0	30	BDAC	
Cc1cccc2cc(C(=O)O)c(C(=O)O)nc12	32099221	IHRBRFOKZGICCR-UHFFFAOYSA-N	231.207	1.940	0	30	BDAC	
CC(C)(C)OC(=O)N(CCCO)C1CC1	137557853	LLXMKOTWXMKYCL-UHFFFAOYSA-N	215.293	1.768	0	30	BDAC	
CCc1nc(Br)ccc1N	220315011	ZVFSJDXSRYGQCR-UHFFFAOYSA-N	201.067	1.989	0	30	BDAC	
O=C1NC(=S)NC1=CC=Cc1ccccc1	2265237590	LGQKHJZJGVVDAQ-UHFFFAOYSA-N	230.292	1.588	0	30	BDAC	
NC(=O)N1CC[C@]2(CCc3ccccc32)C1	871626851	XEIBMMBKUMETSE-CYBMUJFWSA-N	216.284	1.655	0	30	BDAC	
COc1cccc(-c2nc3c(o2)CCNC3)c1	95642245	GPGQHBMIDBMMFY-UHFFFAOYSA-N	230.267	1.996	0	30	BDAC	
CC[C@H](CO)NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	102934228	YQMXYJDDIUYATG-UKKRHICBSA-N	242.388	1.410	0	30	BDAC	
CCCCCCOCCOS(=O)(=O)O	33506213	CPARIMRHGMEORC-UHFFFAOYSA-N	226.294	1.403	0	30	BDAC	
COC(=O)[C@H](CC(C)C)NC(=O)C(F)(F)F	2516187	UNGWNSXRWVHTFF-LURJTMIESA-N	241.209	1.253	0	30	BDAC	
COc1ccc(CC(=O)O)cc1OC(F)F	86814946	TZDJCZBUQYJRKG-UHFFFAOYSA-N	232.182	1.924	0	30	BDAC	
NC(=O)NC1CCC(C(F)(F)F)CC1	149477100	VLLWEWHRNLODBZ-UHFFFAOYSA-N	210.199	1.776	0	30	BDAC	
COc1ccc2nc(Cl)c(C)c(=O)n2c1	725244012	CQNWXJGFHXRYPU-UHFFFAOYSA-N	224.647	1.665	0	30	BDAC	
CC(C)OC[C@H](C)OC[C@H](C)OCCCO	141638263	IORJUBNHUBMTQM-RYUDHWBXSA-N	234.336	1.604	0	30	BDAC	
CC(C)COCCCOC[C@H](C)OCCCO	141959195	FHESORQXALNZLD-ZDUSSCGKSA-N	248.363	1.853	0	30	BDAC	
CCOC(=O)[C@H]1CCC(=S)N2CCC=C12	100292851	SLDNYRLQIMPMHO-QMMMGPOBSA-N	225.313	1.877	0	30	BDAC	
Nc1cc(-c2nc[nH]n2)ccc1Br	236359584	NGJUHZSNWGTCQM-UHFFFAOYSA-N	239.076	1.816	0	30	BDAC	
Cc1ncc2c(Br)n[nH]c2n1	84324319	KJGAQNFYQLXZGH-UHFFFAOYSA-N	213.038	1.424	0	30	BDAC	
CCN1C=Cc2cc(C(=O)O)ccc2O1	231439086	XWBRRKZJXLATRA-UHFFFAOYSA-N	205.213	1.985	0	30	BDAC	
Cc1nn(C)c2oc(=O)cc(C(F)(F)F)c12	91342	MDMKRAGAFMBRST-UHFFFAOYSA-N	232.161	1.854	0	30	BDAC	
CS(=O)(=O)Nc1nc2ccc(N)cc2s1	20980437	LUNIKKCPFLEDAU-UHFFFAOYSA-N	243.313	1.250	0	30	BDAC	
CC(C)(C)N(C(N)=O)c1ccc(O)cc1O	39098757	DWSYJTYLEKOLSG-UHFFFAOYSA-N	224.260	1.781	0	30	BDAC	
CN(Cc1ccccc1)C[C@@H](O)C1CC1	68908212	ZSOUASLUWLASAV-CYBMUJFWSA-N	205.301	1.889	0	30	BDAC	
NC(=S)[C@H]1CCN(Cc2ccccc2)C1	143906805	SXSKQICXHDANJG-NSHDSACASA-N	220.341	1.795	0	30	BDAC	
N[C@H](C(=O)O)c1cnn(Cc2ccccc2)c1	76135441	NIJOKDMQHOUQPD-NSHDSACASA-N	231.255	1.016	0	30	BDAC	
Nc1nccc(-c2ccc3c(c2)OCCO3)n1	79932	IDPCMBITUKUXOY-UHFFFAOYSA-N	229.239	1.497	0	30	BDAC	
COC(=O)c1cc(CN2CCCCC2)n(C)n1	260330082	YSDODARLSHQIQP-UHFFFAOYSA-N	237.303	1.193	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)O)CO1	685939208	VCKWPYNMUCRUHV-SFYZADRCSA-N	245.275	1.001	0	30	BDAC	
COc1nc(C)c(Br)c(OC)n1	28655607	HLPQXHRLQNOZAL-UHFFFAOYSA-N	233.065	1.565	0	30	BDAC	
O=C(O)c1ccc(Nc2ncc[nH]2)cc1	39085213	MIBKTJWXBNXSOW-UHFFFAOYSA-N	203.201	1.852	0	30	BDAC	
O=C(c1cnccn1)N1CCc2ccccc2C1	5685382	SRMTUSLNPYAGQH-UHFFFAOYSA-N	239.278	1.675	0	30	BDAC	
Cc1ccc(C)c(N2CCNCC2=O)c1	70918403	ZNNHHOZHMCKSJW-UHFFFAOYSA-N	204.273	1.240	0	30	BDAC	
O=C(O)[C@H]1CCn2c(cnc2C(F)(F)F)C1	88613684	AOFKCEUPTSWVON-YFKPBYRVSA-N	234.177	1.549	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)CF)C1	142576002	APNLKHFXFBCPAA-MRVPVSSYSA-N	231.267	1.782	0	30	BDAC	
O=C(O)C(F)(F)Oc1ccc(F)cc1	36878306	OWBDUXZUUDKLMS-UHFFFAOYSA-N	206.119	1.882	0	30	BDAC	
O=S(=O)(O)c1ccc(S)c2cccnc12	39140288	NSZAPGREONCCTP-UHFFFAOYSA-N	241.293	1.770	0	30	BDAC	
CCOC(=O)Cc1nc2cnccc2n1CC	93232650	MATABIHFCLFOGX-UHFFFAOYSA-N	233.271	1.557	0	30	BDAC	
COC[C@@]1(C(=O)O)CCN1C(=O)OC(C)(C)C	2265385448	ZITAVRBGDFXMKA-LLVKDONJSA-N	245.275	1.097	0	30	BDAC	
O=C(O)C1(c2ccn(C(F)(F)F)n2)CC1	2265384975	MLRRSQFNVSXPAT-UHFFFAOYSA-N	220.150	1.476	0	30	BDAC	
COc1ccc(CN[C@H](C)CCCO)cc1	87358088	MICZGOMXMGCDCA-LLVKDONJSA-N	223.316	1.946	0	30	BDAC	in-vitro
CCOC(=O)[C@@H](N)c1cccc(C)c1C	33367992	NBOOJFMSVAYJOY-NSHDSACASA-N	207.273	1.866	0	30	BDAC	
O=c1[nH]c2cccc(C(F)(F)F)c2[nH]1	89195065	PYXDRIIWKDSGGF-UHFFFAOYSA-N	202.135	1.875	0	30	BDAC	
Brc1ccnc2c1CNCC2	88190160	GRXWPDYHZGKUHH-UHFFFAOYSA-N	213.078	1.490	0	30	BDAC	
N[C@@H](CO)c1ccc(C(F)(F)F)c(F)c1	72198452	RHPCYPZQMMYPPR-QMMMGPOBSA-N	223.169	1.837	0	30	BDAC	
CCN(CC)[C@H](C(=O)O)C(=O)OC(C)(C)C	205475488	LMYFPQHKOTXQGG-MRVPVSSYSA-N	231.292	1.123	0	30	BDAC	
CC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)O)CC1	514268711	KOPSGCSSBLKUES-DBIOUOCHSA-N	239.315	1.792	0	30	BDAC	
C[C@@H]1CNCCN1c1nc2ccccc2o1	54375378	VRQKFPGRVSUBEV-SECBINFHSA-N	217.272	1.626	0	30	BDAC	in-vitro
O=C(O)c1ccccc1C(=O)N1CCSC1	1794	XVAYJUBRRZOANH-UHFFFAOYSA-N	237.280	1.531	0	30	BDAC	investigational
CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]2(N)CC1	1554770430	RLKQLFDFQMMVLZ-SKDRFNHKSA-N	226.320	1.735	0	30	BDAC	
CC[C@]1(c2ccccc2)C(=O)NC(=O)N1C	482	NEGMMKYAVYNLCG-LBPRGKRZSA-N	218.256	1.474	0	30	BDAC	biogenic,in-man
CN(C)C(=O)C[C@@H]1CC(C)(C)[C@@]1(C)CO	38302142	ZDONFFPCYDZWQS-SKDRFNHKSA-N	213.321	1.509	0	30	BDAC	
CC(C)(C)OC(=O)NCCNCC1CC1	39093798	SRZQJMXVOPXEIL-UHFFFAOYSA-N	214.309	1.511	0	30	BDAC	
CC(C)(C)OC(=O)[C@H](CCN)OC(C)(C)C	142501816	GKULCEZVQDUIER-VIFPVBQESA-N	231.336	1.861	0	30	BDAC	
Cc1ccc(N2C=C([N+](=O)[O-])N(C)[C@H]2C=N)cc1	263583861	CTRCHRFICPJUHV-LLVKDONJSA-N	246.270	1.798	0	30	BDAC	
CCOC(=O)C[C@@]1(O)N=C(C)C=C(C)N1CC	514278268	TUIMYEQPZSVIEX-GFCCVEGCSA-N	240.303	1.286	0	30	BDAC	
O=C1O[C@@H](C(F)(F)F)N=C1c1ccccc1	110625	GOUDGRBOWFMVRW-VIFPVBQESA-N	229.157	1.921	0	30	BDAC	
CNCC(=O)c1c[nH]c2ccc(F)cc12	82379021	MGWSQICQCRZVBP-UHFFFAOYSA-N	206.220	1.709	0	30	BDAC	
CCOC(=O)c1conc1Br	34157285	XLFLPPMXDQEXMM-UHFFFAOYSA-N	220.022	1.614	0	30	BDAC	in-vitro
Brc1cccc(NC2CNC2)c1	84416098	TYJYXFRTBVEBDI-UHFFFAOYSA-N	227.105	1.833	0	30	BDAC	
COC(=O)c1ncc(Br)nc1C	95774798	JITXPUCFFMKBHU-UHFFFAOYSA-N	231.049	1.334	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(=C(F)C(=O)O)C1	135466130	LINUSXMFPCEBEG-UHFFFAOYSA-N	231.223	1.545	0	30	BDAC	
COC(=O)c1sc(C(O)O)cc1Cl	1565684554	DYFIOGWLHNIYKO-UHFFFAOYSA-N	222.649	1.171	0	30	BDAC	
C[C@@H]1CN(Cc2ccccc2)C(=O)[C@@H](C)N1	38885769	GYDZGFZXQCOKRU-GHMZBOCLSA-N	218.300	1.395	0	30	BDAC	
CC[C@H]1SC[C@@H](C(=O)OC)/C1=N/O	39085320	RUCXHNGFLVBCSH-GFVAHDQBSA-N	203.263	1.131	0	30	BDAC	
O=S1(=O)C[C@@H](O)c2c(Cl)cccc21	1536219969	ZFJFWYOMDUHBKI-ZCFIWIBFSA-N	218.661	1.161	0	30	BDAC	
CCOC(=O)[C@@]12CCCCC[C@@H]1NCC2	1536220192	YGVXKVGPQNAQGG-CMPLNLGQSA-N	211.305	1.862	0	30	BDAC	
Nc1cccc(-c2nncn2C2CC2)c1	54498403	VOTLSCJEAIOEMI-UHFFFAOYSA-N	200.245	1.862	0	30	BDAC	
N[C@@H](C(=O)O)c1ccc(C(F)(F)F)nc1	95761698	OTYFVHROHJRBME-ZCFIWIBFSA-N	220.150	1.185	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@H]1C1=NCCN1	150101464	FGCYEDNAVRTJTQ-VIFPVBQESA-N	239.319	1.388	0	30	BDAC	
CO[C@@H]1CN[C@@](C)(CNC(=O)OC(C)(C)C)C1	536948289	PTQMQCURMJQIIV-JOYOIKCWSA-N	244.335	1.278	0	30	BDAC	
O=C(O)c1c(Br)cnc(F)c1F	2265384806	KLDVLUSYVMOQEY-UHFFFAOYSA-N	237.987	1.821	0	30	BDAC	
Cc1cccc(CN2CCO[C@H](CN)C2)c1	11885829	UMDJSGAJEMJQCC-CYBMUJFWSA-N	220.316	1.155	0	30	BDAC	in-vitro
COc1cc(-c2cccnc2)oc(=O)c1	898973	WOOQLVPKDONBEX-UHFFFAOYSA-N	203.197	1.710	0	30	BDAC	biogenic,in-vitro
N[C@@H]1CCCN(c2ccc(C(=O)O)cc2)C1	50913204	SSOUTMUMAUDYCZ-SNVBAGLBSA-N	220.272	1.312	0	30	BDAC	
CC(C)(C)OC(=O)Nc1cnns1	5379718	IGEBDAJWENTTJX-UHFFFAOYSA-N	201.251	1.885	0	30	BDAC	
CCC(=O)Nc1ccc(OCCOC)c(N)c1	5138642	ZYKLZWBYDIJLOK-UHFFFAOYSA-N	238.287	1.643	0	30	BDAC	
O=C(O)/C=C\C(=O)OCc1ccccc1	71618269	QKUGKZFASYQCGO-SREVYHEPSA-N	206.197	1.371	0	30	BDAC	
CNc1nn(C(=O)OC)c2ccccc12	39085561	PNEMSSZWQVJJHF-UHFFFAOYSA-N	205.217	1.693	0	30	BDAC	
C[C@]1(c2nnc(Br)s2)CCOC1	259438944	PKUZEUPENVZIEG-ZETCQYMHSA-N	249.133	1.979	0	30	BDAC	
[N-]=[N+]=NC[C@H](Cc1ccc(F)cc1)C(N)=O	200050318	YMOAZPMIORYMGP-QMMMGPOBSA-N	222.223	1.780	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@]2(O)C[C@H]2C1	642879147	ANYXOONFHQCZBY-GZMMTYOYSA-N	213.277	1.378	0	30	BDAC	
COC(=O)[C@H](N)Cc1nccc2ccccc12	259916003	GHBQYBRWVYPTRX-LLVKDONJSA-N	230.267	1.278	0	30	BDAC	
Brc1ccnc2nccnc12	95097694	LXEIRRRISIEDID-UHFFFAOYSA-N	210.034	1.787	0	30	BDAC	
CCC(=O)N[C@H]1CCc2ccc(OC)cc2[C@@H]1O	2528527	AGSZGRLOKYZJMA-JSGCOSHPSA-N	249.310	1.570	0	30	BDAC	in-vitro
CC(C)Cc1nn(C)c(C(=O)O)c1Cl	14985190	ADOALHKKXZVQFF-UHFFFAOYSA-N	216.668	1.970	0	30	BDAC	
CN(CCN)c1ccc(Br)cc1	20239313	AJVPGLLZUOGYHB-UHFFFAOYSA-N	229.121	1.844	0	30	BDAC	
COC(=O)c1ccc2c(c1)CC[C@@H]2CO	261305613	TXMPLJRXZNYTKV-SNVBAGLBSA-N	206.241	1.495	0	30	BDAC	
COC(=O)c1cc(S(=O)(=O)C(C)C)cs1	125416	KVPWXEBWPFNBPB-UHFFFAOYSA-N	248.325	1.717	0	30	BDAC	
CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F	107258973	SMVLBVMSJITGKF-JGVFFNPUSA-N	218.272	1.163	0	30	BDAC	
O=C(O)c1cnc2n1C[C@H](C(F)(F)F)CC2	675049919	ADGWSXWXOZTESS-RXMQYKEDSA-N	234.177	1.706	0	30	BDAC	
O=C(O)c1nc(Br)c2ccccn12	211312770	ZHBCSASHICLCOL-UHFFFAOYSA-N	241.044	1.795	0	30	BDAC	
C/C(=N/N=C(N)N)c1cccc(Cl)c1Cl	38648079	MLWONQDCGJOILV-RZNTYIFUSA-N	245.113	1.991	0	30	BDAC	
CCN1CCN(C(=O)OC(C)(C)C)CC1=O	40442743	LVBZKGZHTMYSFA-UHFFFAOYSA-N	228.292	1.086	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(n2cc(O)cn2)C1	953089817	IQHZGDBJLCOYIK-UHFFFAOYSA-N	239.275	1.381	0	30	BDAC	
CC(C)Oc1ccc(C2=NNC(=O)C2)cc1	102374436	SSXSNEUANSULLJ-UHFFFAOYSA-N	218.256	1.698	0	30	BDAC	
CCn1nc(C)cc1-c1nnc(S)o1	121425	IQVLXFRKKBBRNJ-UHFFFAOYSA-N	210.262	1.550	0	30	BDAC	
CN[C@H](Cc1ccccc1)c1nccn1C	69029145	ZZLJVAGVEBSSAC-GFCCVEGCSA-N	215.300	1.923	0	30	BDAC	
CC(C)(C)OC(=O)NCCC1(CCN)N=N1	675050380	SEDVPYDASJIRQZ-UHFFFAOYSA-N	228.296	1.412	0	30	BDAC	
COC(=O)c1ccc([C@H](O)C(F)F)cc1	87687898	HUSZEWRGWATCRB-QMMMGPOBSA-N	216.183	1.772	0	30	BDAC	
CN[C@H](CNC(=O)OC(C)(C)C)C1CC1	95883670	KUQTVSBIBUEQNN-SECBINFHSA-N	214.309	1.509	0	30	BDAC	
CCS(=O)(=O)c1cccc(F)c1N	37418980	PUVINWCORIATQP-UHFFFAOYSA-N	203.238	1.202	0	30	BDAC	in-vitro
COCCOc1c(OC)cc(C=O)cc1OC	33605291	HZEDXSOUEKTFMT-UHFFFAOYSA-N	240.255	1.542	0	30	BDAC	
NC[C@@H]1CCCN(Cc2cccnc2)C1	19843432	LUURPVUDUOREFV-NSHDSACASA-N	205.305	1.252	0	30	BDAC	
CNNC(=S)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@H]21	252428685	VEMRIERNCZUCLY-SAVGLBRCSA-N	237.372	1.186	0	30	BDAC	
c1ncc2ncn([C@@H]3CCCCO3)c2n1	39650986	LJXYKPCGNZYRFJ-VIFPVBQESA-N	204.233	1.525	0	30	BDAC	
COC(=O)Cc1cccc(CC(=O)OC)c1	198657267	FTJJIIHTEOUWNY-UHFFFAOYSA-N	222.240	1.118	0	30	BDAC	
NS(=O)(=O)c1cc(Cl)c(O)cc1Cl	82306956	FUZIGCFUKFQKIS-UHFFFAOYSA-N	242.083	1.346	0	30	BDAC	
CC(C)(C)OC(=O)Nc1ccc(CN)nn1	307676326	HBMNKSMCCWNPOP-UHFFFAOYSA-N	224.264	1.282	0	30	BDAC	in-vitro
NCC1(NC(=O)c2cccc(F)c2)CCCC1	12357024	STNDSBDLQFJPEB-UHFFFAOYSA-N	236.290	1.827	0	30	BDAC	
CCOC(=O)CSc1cncc(Cl)n1	36337238	PRVDRIWPSVIQIP-UHFFFAOYSA-N	232.692	1.785	0	30	BDAC	biogenic,in-vitro
COc1ccc(C2=CC=C[C@H](O)[C@H]2O)cc1	45805446	GBRSZJBWJYMFPS-STQMWFEESA-N	218.252	1.370	0	30	BDAC	
CNS(=O)(=O)[C@@H](c1ccccc1)C1CC1	669376086	FCZLYNQWNDZYLC-NSHDSACASA-N	225.313	1.687	0	30	BDAC	
COC(=O)[C@H](N)Cc1ccc(F)cc1F	69553584	WTDVYINTUREYJH-SECBINFHSA-N	215.199	1.008	0	30	BDAC	
CN(C)C(=O)C[C@H]1CC(C)(C)[C@@]1(C)CO	38302141	ZDONFFPCYDZWQS-CABZTGNLSA-N	213.321	1.509	0	30	BDAC	
CC(=O)Nc1ccc(S(=O)(=O)O)c([N+]#N)c1	5160685	XDOGHDVYXZIPDW-UHFFFAOYSA-O	242.236	1.376	0	30	BDAC	
COC(=O)c1nc2cc(N)ncc2s1	238421870	ODGLUYVMXXEZSZ-UHFFFAOYSA-N	209.230	1.060	0	30	BDAC	
O[C@H]1COc2ccc(Br)cc21	84150621	QKYZCEGIXWRWLB-ZETCQYMHSA-N	215.046	1.875	0	30	BDAC	
O=C1OCCC12CCC1(CC2)OCCO1	196299087	QQPAQCIBECWHPI-UHFFFAOYSA-N	212.245	1.237	0	30	BDAC	
C[C@H]1c2[nH]nc(N)c2CN1C(=O)OC(C)(C)C	206042358	BXCWXKSMKKEXCN-LURJTMIESA-N	238.291	1.804	0	30	BDAC	
CCOC(=O)[C@@H]1CC[C@](C)(C(=O)O)C1	319381862	ROSIFZHEMNPRSU-XCBNKYQSSA-N	200.234	1.441	0	30	BDAC	
COC(=O)c1c[nH]c2cc(F)ccc2c1=O	96323221	NXCQVOKWSLZEMR-UHFFFAOYSA-N	221.187	1.454	0	30	BDAC	
C[C@@H]1Cn2cc(Br)cc2C(=O)N1	307216442	FMJONEXBHAKWEV-RXMQYKEDSA-N	229.077	1.383	0	30	BDAC	
O=C(O)c1ccc(C2OCCCO2)cc1	39120324	JREQKPKQJKBZKO-UHFFFAOYSA-N	208.213	1.820	0	30	BDAC	
COC(=O)[C@]1(N)CCCc2ccccc21	35571333	MPGZNJMZAVIMDJ-LBPRGKRZSA-N	205.257	1.350	0	30	BDAC	
Nc1nc(Cl)cc(N[C@H]2C=C[C@H](CO)C2)n1	34306879	DKWGUXGAGXYRNE-BQBZGAKWSA-N	240.694	1.061	0	30	BDAC	in-vitro
COc1cc2c(c(OC)c1)CC[C@H](N)C2	57938577	FYLALVXQAHKDPE-VIFPVBQESA-N	207.273	1.520	0	30	BDAC	
Brc1nnc2n1CCCCC2	84326550	XHYFKXLYHPYMOO-UHFFFAOYSA-N	216.082	1.767	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(F)F)C1	958692327	UVLFZLVFVGZFGG-RNFRBKRXSA-N	237.246	1.479	0	30	BDAC	
C[C@H]1CC(C)(C)OB(OCCN(C)C)O1	196320332	LKXYXQANXGBLOX-VIFPVBQESA-N	215.102	1.154	0	30	BDAC	
COC(=O)c1cncc(C(F)(F)F)n1	260184428	JBAABTQWFSTOFD-UHFFFAOYSA-N	206.123	1.282	0	30	BDAC	
COC(=O)c1cc2c(s1)CCO[C@H]2CN	2265385497	BDROLOVPTLXSDQ-ZETCQYMHSA-N	227.285	1.107	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]2O[C@H]12	616583250	YECDILQHQJBHKH-XHNCKOQMSA-N	213.277	1.689	0	30	BDAC	
COc1ccc(C(=O)N2CCCC2=O)cc1O	33875495	XPLNSJFVMBLFNT-UHFFFAOYSA-N	235.239	1.163	0	30	BDAC	
C[C@]1(C2CC2)NC(=O)N(c2cccc(N)c2)C1=O	84097517	KVNNUONFHDPHKI-CYBMUJFWSA-N	245.282	1.494	0	30	BDAC	in-vitro
CC(=O)c1ccnc(Br)c1N	34146031	ZUEMWWBCZLRKQT-UHFFFAOYSA-N	215.050	1.629	0	30	BDAC	
C[C@H](N)CNC(=O)OCc1ccccc1	39952284	HVQKTRVTQIMUEL-VIFPVBQESA-N	208.261	1.260	0	30	BDAC	
CN1CCC[C@@H]1[C@@](C)(O)c1ccc(O)cc1	328579520	NCOJGMWSQHQPRG-OLZOCXBDSA-N	221.300	1.694	0	30	BDAC	
CC(C)(C)OC(=O)[C@]1(CN)CCCOC1	710415523	GULCKCGZWVGDNC-NSHDSACASA-N	215.293	1.084	0	30	BDAC	
Cn1nc(Br)c(Cl)c1F	252478946	AXTTWPVXVGGXRF-UHFFFAOYSA-N	213.437	1.975	0	30	BDAC	
CC(C)(CO)NC(=S)Nc1cccc(F)c1	71868	WDTSVWBKMWNPBW-UHFFFAOYSA-N	242.319	1.883	0	30	BDAC	
CCOC(=O)c1c(Cl)c(CC)nn1C	14985131	CUKJHWLTDJWPHN-UHFFFAOYSA-N	216.668	1.813	0	30	BDAC	
N[C@@H](Cc1cc(Cl)nc(Cl)c1)C(=O)O	44287511	HIUMJVSCVUFUFW-YFKPBYRVSA-N	235.070	1.343	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H]([C@H]1CO)C2(C)C	39077207	PVEJENBJVXZISA-AEJSXWLSSA-N	241.331	1.870	0	30	BDAC	
CN1CCC(c2ncc(CN)s2)CC1	258080223	MLFUXZIFIMQSAM-UHFFFAOYSA-N	211.334	1.411	0	30	BDAC	
CC(C)(O)C(C)(C)OB(O)/C=C/C1CC1	203681072	KBCUHPYDOFPRBE-BQYQJAHWSA-N	212.098	1.538	0	30	BDAC	in-vitro
COC(=O)[C@H]1C[C@](O)(c2ccccc2)C1	498036587	NIOCOUPGHASQHO-WVSHTKLVSA-N	206.241	1.457	0	30	BDAC	
COc1ccc(Cc2nnc(O)o2)cc1OC	4323870	XVOFMHUGNUEKLL-UHFFFAOYSA-N	236.227	1.383	0	30	BDAC	
CC(C)Oc1cccc([C@@H]2CC(=O)NC2=O)c1	101111748	XKCUOVLFNVLRTK-NSHDSACASA-N	233.267	1.604	0	30	BDAC	
CC(=O)Nc1nc2ccccc2c(=O)s1	119732	DJXXLEZEWGGCJB-UHFFFAOYSA-N	220.253	1.615	0	30	BDAC	
O=C1N[C@H]2C[C@H]2N1C(=O)OCc1ccccc1	136028	MTQBCNWSXOYUJM-VHSXEESVSA-N	232.239	1.489	0	30	BDAC	
COC(=O)[C@H](C)c1cc(OC)cc(OC)c1	87124257	BQFXALGXQCIAAU-MRVPVSSYSA-N	224.256	1.980	0	30	BDAC	
NC(=O)[C@@H](Br)CCBr	117972843	KSWBTPCSMSWWOR-VKHMYHEASA-N	244.914	1.020	0	30	BDAC	
COC(=O)C[C@@H]1CCC2(CCNCC2)OC1	393802347	SKDQEKZNBRLGCR-JTQLQIEISA-N	227.304	1.098	0	30	BDAC	
O=C(O)[C@@]1(c2cccc(F)c2)C[C@H]1CO	132805757	VZIJCFPIZIUSON-GZMMTYOYSA-N	210.204	1.160	0	30	BDAC	
COc1ccc2c(c1)c(O)cc(=O)n2C	100165123	DYEJJCQLQRUPRP-UHFFFAOYSA-N	205.213	1.253	0	30	BDAC	
Cc1oc2ccccc2c1CNC(N)=O	1045887	WLGWUIQRUKZSDV-UHFFFAOYSA-N	204.229	1.910	0	30	BDAC	
O=C(O)[C@@H]1CCC[C@H](Nc2cnccn2)C1	70501552	UNJYOBIWXMEZSB-BDAKNGLRSA-N	221.260	1.532	0	30	BDAC	
Clc1cc(Cl)nc(-n2ccnc2)n1	40435056	GOKCJCODOLGYQD-UHFFFAOYSA-N	215.043	1.969	0	30	BDAC	
CCOC(=O)CC(=O)c1cncc(F)c1	233686120	QMHIQUZBCPIUCY-UHFFFAOYSA-N	211.192	1.357	0	30	BDAC	
COC(=O)C(C)(C)c1cccc(C=O)c1	45328599	CODFTVNQBSJHPR-UHFFFAOYSA-N	206.241	1.950	0	30	BDAC	
O=C1CNCCN1c1c(Cl)cccc1Cl	95642272	ZUXAVKJKMXFPEW-UHFFFAOYSA-N	245.109	1.930	0	30	BDAC	
c1ccc2sc([C@@H]3COCCN3)nc2c1	83016960	HTRYLKRMWMMOGW-VIFPVBQESA-N	220.297	1.957	0	30	BDAC	
CC(C)(C)OC(=O)[C@H]1C[C@@H](N2CCNCC2)C1	2265384510	NFOJWPXFCOBXTC-PHIMTYICSA-N	240.347	1.012	0	30	BDAC	
CCC(CC)(CC)[C@@H](NC(C)=O)C(=O)O	395214275	JPCPFKBKFKYPIF-VIFPVBQESA-N	215.293	1.792	0	30	BDAC	
CC(C)Oc1nc(Cl)nc(Cl)n1	2033820	PFMRZZXGXJJZHY-UHFFFAOYSA-N	208.048	1.966	0	30	BDAC	
CO[C@](C)(CN)COCc1ccccc1	238410946	HELYWKYLNYYXDZ-GFCCVEGCSA-N	209.289	1.567	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CN2CC[C@H]1C2	256170177	NIZTZRCJEKIRON-DTWKUNHWSA-N	212.293	1.215	0	30	BDAC	
CCOC(=O)CC1(c2ccccc2)COC1	260580200	POCFBJPVORWHPN-UHFFFAOYSA-N	220.268	1.908	0	30	BDAC	
COc1ncc(Br)c(C)c1CN	2265378594	QNYIQZUSBZKBQH-UHFFFAOYSA-N	231.093	1.620	0	30	BDAC	
O=C(O)[C@@H]1CC(=O)N(c2cc(F)ccc2F)C1	19398278	ZHZMVBGSAVVDRX-ZCFIWIBFSA-N	241.193	1.402	0	30	BDAC	
O=C1C[C@H](NC(=O)C(F)(F)F)c2ccccc21	95347530	JKTZEXJQDLSNPN-QMMMGPOBSA-N	243.184	1.993	0	30	BDAC	in-vitro
COC(=O)c1ccc(C)c2c1OCCCO2	39110399	RROHLRMSQCHMOG-UHFFFAOYSA-N	222.240	1.943	0	30	BDAC	
CN(Cc1ccccn1)[C@@H]1CCCNCC1	82666701	FTJKMHYEHSAXCJ-CYBMUJFWSA-N	219.332	1.656	0	30	BDAC	
CNC[C@@H]1C[C@H](F)CN1Cc1cccs1	238853992	LZSOOHQKHRQAII-UWVGGRQHSA-N	228.336	1.880	0	30	BDAC	
COC(=O)CC[C@H](N)c1ccc(OC)cc1	37483847	FNRCVPUVUWZSSY-NSHDSACASA-N	223.272	1.648	0	30	BDAC	in-vitro
Cn1c(=O)[nH]c2ccc(Br)nc21	40435042	DXNJIIMJLFIHOH-UHFFFAOYSA-N	228.049	1.024	0	30	BDAC	
CC1(c2ccc(C(=O)O)cc2)OCCO1	107778449	XJAOKEWTEGHXDE-UHFFFAOYSA-N	208.213	1.604	0	30	BDAC	
COC(=O)C1(C(=O)OC)CCC(C)(C)CC1	39111049	KOKXTFSZCRDWND-UHFFFAOYSA-N	228.288	1.919	0	30	BDAC	
CCN(C)C(=O)OC[C@@H]1CCCCN1	86229851	GMCXPAMZGGPINZ-VIFPVBQESA-N	200.282	1.217	0	30	BDAC	
O=C(O)c1cc(Br)ncc1O	95642455	RTZRAFVOLCCLIX-UHFFFAOYSA-N	218.006	1.248	0	30	BDAC	
Nc1nc(Cl)nc(C(F)(F)F)c1[N+](=O)[O-]	222210597	MQKQUPROLAVXSS-UHFFFAOYSA-N	242.544	1.639	0	30	BDAC	
Oc1cc(C(F)(F)F)cc2ncnn12	725243290	VHSDMVZDMURLQW-UHFFFAOYSA-N	203.123	1.454	0	30	BDAC	
CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCC12CC2	2265383715	WBLQEWLSKCEHQE-LBPRGKRZSA-N	241.287	1.909	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CN)C1	409431628	ROCVLKAYBDLJMG-CABZTGNLSA-N	226.320	1.592	0	30	BDAC	
NOCC[C@@H]1CCO[C@@H](c2ccccc2)O1	39325661	CVLUOQVVWFPWDY-NWDGAFQWSA-N	223.272	1.771	0	30	BDAC	
CC[C@@H]1CCc2[nH]c(=O)c(C(=O)O)cc2C1	43404542	TXWUFMDSIXFBPI-SSDOTTSWSA-N	221.256	1.588	0	30	BDAC	
COC(=O)N1CCC[C@H]1CCN(C)C	701525146	URURXRCAPOVXSX-VIFPVBQESA-N	200.282	1.169	0	30	BDAC	
O=C(N1C[C@H]2C=CCC[C@H]2C1)C(F)(F)F	39055799	TWRGGEBFZHEKMV-SFYZADRCSA-N	219.206	1.973	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@]2(N)C[C@@H]12	83297626	XSTOWBSLINCVAA-LDYMZIIASA-N	212.293	1.487	0	30	BDAC	
Cc1cc(I)ncn1	144589190	GHNXXBPTGLYEML-UHFFFAOYSA-N	220.013	1.390	0	30	BDAC	in-vitro
O=C1CC(=O)N[C@@H](c2ccc(F)cc2)C1	107148247	UKLRYNMMOHQQSJ-SNVBAGLBSA-N	207.204	1.346	0	30	BDAC	
O=CNc1ccc(CN2CCCC2)cc1	86511227	FXJMWYRDKXPFAZ-UHFFFAOYSA-N	204.273	1.851	0	30	BDAC	
Nc1c(Br)cnn1C1CC1	75843761	GRFLTXMBZLLYRA-UHFFFAOYSA-N	202.055	1.563	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](CN)CC[C@H]2C1	211788536	GBPFKXPJCJSCBK-DCAQKATOSA-N	240.347	1.838	0	30	BDAC	
NC[C@H]1c2ccccc2C(=O)N1CC(F)F	536950875	LHDYIJLJWYRAAV-VIFPVBQESA-N	226.226	1.407	0	30	BDAC	
COC(=O)c1cc2c(C)nn(C)c2s1	79615	CVOJLIZHBZCIJM-UHFFFAOYSA-N	210.258	1.730	0	30	BDAC	
CCCCN1CC(C(=O)OCC)=C(O)C1=O	20413517	DXTWHAVRIJHSNP-UHFFFAOYSA-N	227.260	1.004	0	30	BDAC	
O[C@@H]1CCCN[C@H]1CCc1ccccc1	75130776	MEMLNRRWCTXOSH-QWHCGFSZSA-N	205.301	1.732	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@](C)(CCN)C1	258887664	NDLRXCOKZBFTMX-GFCCVEGCSA-N	228.336	1.982	0	30	BDAC	
O=C1OCc2cc(C(F)(F)F)ncc21	201038263	LALXDHLWAOYULB-UHFFFAOYSA-N	203.119	1.771	0	30	BDAC	
NS(=O)(=O)C[C@@H]1CC2CCC1CC2	306168508	XUCIUHLYQUAPBI-HACHORDNSA-N	203.307	1.101	0	30	BDAC	
CC(C)(C)CC(C)(C)NC(=O)/C=C/C(=O)O	1760472	LDWOVVMBOIZDML-VOTSOKGWSA-N	227.304	1.958	0	30	BDAC	
NC(=O)N1CCO[C@@H](c2ccccc2)C1	73895073	CTWIHNPPBQFQLI-SNVBAGLBSA-N	206.245	1.139	0	30	BDAC	
CC(=O)OC[C@@](C)(N)C(=O)c1ccccc1	141065727	KGUUMGWIXIGYOP-GFCCVEGCSA-N	221.256	1.150	0	30	BDAC	
CC[C@@H](C)NC[C@H](O)c1ccc(N)cc1	2003344	UWYLQWLJGMLJQF-SKDRFNHKSA-N	208.305	1.690	0	30	BDAC	in-man
CC1(C)C[C@H](N)C[C@@](C)(CNCCC(=O)O)C1	38636266	RGKAWYALXRQNJW-GXFFZTMASA-N	242.363	1.594	0	30	BDAC	
COC(=O)[C@@H]1NCC2(CC2)c2ccccc21	950757521	NFXFNLIAROAQKH-LLVKDONJSA-N	217.268	1.536	0	30	BDAC	
COC(=O)c1ccc(C(F)(F)CO)cc1	1536092896	LHFXVPUSDMDPBC-UHFFFAOYSA-N	216.183	1.557	0	30	BDAC	
CN(C)C(=O)c1cnccc1C(F)(F)F	220137164	WUQXOBNANUDIMB-UHFFFAOYSA-N	218.178	1.802	0	30	BDAC	
Nc1cc(-c2ccn(Cc3ccccc3)n2)n[nH]1	238854096	MSGQMZUOFSGQMD-UHFFFAOYSA-N	239.282	1.904	0	30	BDAC	
CCOc1ccc(-c2nnn[nH]2)c(F)c1	95176227	TVNBRFBVOBZGGK-UHFFFAOYSA-N	208.196	1.405	0	30	BDAC	
CC(C)(C)O[C@H]1CC(=O)[C@@H]1n1cccn1	238855003	QBWQIUMDPCIVHH-UWVGGRQHSA-N	208.261	1.581	0	30	BDAC	
Brc1cc2n(n1)CCCN2	250747348	BIGUAHCUOIFZQS-UHFFFAOYSA-N	202.055	1.461	0	30	BDAC	
Cc1cc(C(=O)O)c(C)n1-c1cnccn1	36333728	ZUDBWMDJEQNLRU-UHFFFAOYSA-N	217.228	1.582	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(C(=O)C(F)F)C1	1535991140	XOOIBUBFLWCXKY-UHFFFAOYSA-N	235.230	1.688	0	30	BDAC	
CN(C=O)CCc1c[nH]c2ccccc12	14593892	LRIGMDMBUHYZDM-UHFFFAOYSA-N	202.257	1.799	0	30	BDAC	
C[C@@H]1C[C@@H](OC[C@@H](O)CO)CC(C)(C)C1	145021833	XLNQVDHZDZPRJL-OUAUKWLOSA-N	216.321	1.571	0	30	BDAC	
CCOC(=O)C(F)(F)c1ccnc(OC)c1	97054235	KTDQEDLQVWJTJL-UHFFFAOYSA-N	231.198	1.745	0	30	BDAC	in-vitro
CCNCCOCc1ccc(OC)cc1	43500904	BSSQXZRKUWJQIS-UHFFFAOYSA-N	209.289	1.821	0	30	BDAC	
CCOC(=O)[C@H]1C[C@H](C)CSC1=N	100268892	DVGQVFNQOYLCLG-BQBZGAKWSA-N	201.291	1.916	0	30	BDAC	
O=C(O)/C=C/C(=O)Nc1c(F)cccc1F	138721	ZHAHDVOTGQIDEP-SNAWJCMRSA-N	227.166	1.544	0	30	BDAC	
CC(=O)OC12CC3C[C@@H](C1)C(O)[C@@H](C3)C2	100210386	YAJNVCORZIYGQG-SJZSRGDHSA-N	210.273	1.489	0	30	BDAC	
O=C(O)C[C@@H]1CCC[C@H](C(F)(F)F)O1	675050664	GXBYZAXJUHSWEW-NTSWFWBYSA-N	212.167	1.961	0	30	BDAC	
C[C@H]1CC(O)=C2C=CS[C@@H]2S1(=O)=O	144160397	UNQGZWLXWMOAKP-YLWLKBPMSA-N	218.299	1.592	0	30	BDAC	
Brc1ccc(-c2cn[nH]n2)nc1	34027830	GLJWUVSNCMEZFO-UHFFFAOYSA-N	225.049	1.629	0	30	BDAC	
CCOC(=O)C(=O)N1[C@@H](C)CCC[C@H]1C	34543280	YXPMAWBCWXIFOT-DTORHVGOSA-N	213.277	1.339	0	30	BDAC	in-vitro
CNC(=O)c1ncc(Br)s1	179954788	CTVGJKALORKODT-UHFFFAOYSA-N	221.079	1.265	0	30	BDAC	
Cc1nc(-c2ccncc2)sc1CN	12370598	HSWRYUZXDMQDGC-UHFFFAOYSA-N	205.286	1.972	0	30	BDAC	in-vitro
Cc1c(O)c2c(c(C)c1CCO)C(=O)[C@H](C)C2	14682881	QXFUIMCTCZCFJY-SSDOTTSWSA-N	234.295	1.919	0	30	BDAC	biogenic,in-vitro
C[C@H](C(=O)O)c1cnc2c(cnn2C)c1	107374278	PHRKZUHTKIRCHM-LURJTMIESA-N	205.217	1.156	0	30	BDAC	
CC(C)(C)O[C@@H]1C[C@@H](N)[C@@H]1n1cccn1	299805449	OPUNPWADWNJUEF-BBBLOLIVSA-N	209.293	1.339	0	30	BDAC	
Nc1cc(Cl)c(Cl)nc1CC(=O)O	216076898	RIRHWAVUDVFVSE-UHFFFAOYSA-N	221.043	1.598	0	30	BDAC	
CC(C)C1=NC(=C2C=CC(=N)C=C2)ON1	725325384	PURQUXPFWPAMDL-UHFFFAOYSA-N	203.245	1.933	0	30	BDAC	
COC(=O)[C@H](C)Oc1ccc(N)cc1F	34247756	JLTIRZLWSSRCMB-LURJTMIESA-N	213.208	1.348	0	30	BDAC	
CC(C)(O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O	221342417	WIVLTTKGLJRFJH-ZETCQYMHSA-N	247.291	1.125	0	30	BDAC	
CC[C@H](C)NC[C@@H](O)c1ccc(N)cc1	2003346	UWYLQWLJGMLJQF-JOYOIKCWSA-N	208.305	1.690	0	30	BDAC	in-man
COc1cc(C)c2n[nH]c(C(=O)O)c2c1	14985878	RKVZVAXDCDMMNV-UHFFFAOYSA-N	206.201	1.578	0	30	BDAC	
COP(=O)(CC(=O)CCCCCO)OC	1613271	CLPVBZKHVXANKQ-UHFFFAOYSA-N	238.220	1.594	0	30	BDAC	
O=c1ccc(-c2cccc(CO)c2)c[nH]1	65337752	PYNQEGVQMFFSQA-UHFFFAOYSA-N	201.225	1.534	0	30	BDAC	
CC[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)O	250244358	NZFXXUSVMTWINN-XKNYDFJKSA-N	225.288	1.402	0	30	BDAC	
CCOC(=O)[C@H]1CCC[C@@H](C(=O)O)C1	36467020	WFXPHQCHMAPWEB-SFYZADRCSA-N	200.234	1.441	0	30	BDAC	
O=[S@](O)c1cc(N2CCCC2)ccn1	958539468	WDBTZFIKYDNEOM-UHFFFAOYSA-N	212.274	1.262	0	30	BDAC	
Cc1cc(CNC[C@H](O)CO)ccc1Cl	216640002	UNLHDICTMWXFDF-JTQLQIEISA-N	229.707	1.091	0	30	BDAC	
COc1cccc(NC(=O)C=CC(=O)O)c1	53891	CXOUTHKBZTXXAU-UHFFFAOYSA-N	221.212	1.275	0	30	BDAC	
Cc1cccc(NC(=N)NC(=N)N)c1C	20286643	QPUAWEXLLDSJBV-UHFFFAOYSA-N	205.265	1.133	0	30	BDAC	
NC(=O)c1cc(Br)sn1	238595017	RFPXTTMUTKTFBV-UHFFFAOYSA-N	207.052	1.005	0	30	BDAC	
CC(C)[C@@H](NC(=O)c1ccccc1)c1nnn[nH]1	68575449	KOOWKGMZVBVLTH-SNVBAGLBSA-N	245.286	1.327	0	30	BDAC	in-vitro
CSCC[C@@H](NCC(C)C)C(=O)N(C)C	336738529	RHXDGHZMSSRXBK-SNVBAGLBSA-N	232.393	1.442	0	30	BDAC	
CC(C)(C)OC(=O)CSCC(=O)O	37415105	JFRXJAPGLVVIBH-UHFFFAOYSA-N	206.263	1.146	0	30	BDAC	in-vitro
CC[C@](C)(CN)NC(=O)OC(C)(C)C	70626902	YEPGPTKYNNBMPK-SNVBAGLBSA-N	202.298	1.639	0	30	BDAC	
C[C@H](CC(=O)O)n1cc(Br)cn1	26547412	APFDEDHWLPYNPP-RXMQYKEDSA-N	233.065	1.681	0	30	BDAC	
Nc1nc(Cl)nc2c(Br)c[nH]c12	238653060	IYOLYADQXGXUOO-UHFFFAOYSA-N	247.483	1.956	0	30	BDAC	
OC[C@@H]1CCC[C@@H]1O[C@H]1CCCCO1	245224341	VGPZOQUMOOQFOH-DCAQKATOSA-N	200.278	1.691	0	30	BDAC	
CCNCCOC(=O)c1ccc(N)cc1	39087040	DEXZCGMDMCOFSP-UHFFFAOYSA-N	208.261	1.035	0	30	BDAC	
Nc1cccc2c(O)c(C(=O)O)ccc12	5162088	FTFXTBBEMSWGHU-UHFFFAOYSA-N	203.197	1.826	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C2CC1C2	2265347421	SOEKFLPEOGXHTN-HACHORDNSA-N	241.287	1.717	0	30	BDAC	
CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)O	238855055	QHIONVJPPYSNSK-HTQZYQBOSA-N	210.233	1.065	0	30	BDAC	
COC(=O)[C@@H]1CCN1CCc1ccccc1	6228759	PYQPSYNNMDAHNJ-LBPRGKRZSA-N	219.284	1.476	0	30	BDAC	
CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](N)[C@@H]21	756957834	DMBGWVCELMTFCO-OPRDCNLKSA-N	226.320	1.733	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CCC=CC1=O	147584909	SOBOAQXEAWHDLU-QMMMGPOBSA-N	211.261	1.799	0	30	BDAC	
COC(=O)[C@H]1CCN1CCc1ccccc1	6228808	PYQPSYNNMDAHNJ-GFCCVEGCSA-N	219.284	1.476	0	30	BDAC	
CCOC(=O)[C@@H]1CNC[C@@H]1c1ccccc1	143959166	QRPKWKHMIUWDBI-VXGBXAGGSA-N	219.284	1.553	0	30	BDAC	
Nc1cnc(-n2cnc3ccccc32)nc1	40455887	WOAKELDOOJNNME-UHFFFAOYSA-N	211.228	1.398	0	30	BDAC	
NCc1nc(Cl)ncc1Br	144166939	NLFCKNBGFNNGJU-UHFFFAOYSA-N	222.473	1.351	0	30	BDAC	
CN(CC(F)(F)F)C1CCC(=O)CC1	85871975	OHIRGQFHJQGSMV-UHFFFAOYSA-N	209.211	1.992	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N[C@@H](CCF)C(=O)O	87775627	DMJQOIJDTJMPEK-LURJTMIESA-N	221.228	1.324	0	30	BDAC	
c1ccc([C@@H]2CN[C@H]3CCOC[C@H]32)cc1	238856559	WGGHLOAPDUROBO-AVGNSLFASA-N	203.285	1.779	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N[C@H]1C[C@H]([S@@](C)(=N)=O)C1	2265360031	CVLPYAJJSRUPPS-UFIJUMAVSA-N	248.348	1.719	0	30	BDAC	
COC(=O)C[C@@H]1COc2c(O)cccc21	238344979	NWMCEEJWYBTHIH-SSDOTTSWSA-N	208.213	1.431	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)O	258322372	RSDWKMNMYQDLJN-XHNCKOQMSA-N	241.287	1.717	0	30	BDAC	
Cc1cc(NC(=O)c2ccc3nonc3c2)no1	171377	KZMJNDHJQACXCY-UHFFFAOYSA-N	244.210	1.772	0	30	BDAC	
O=c1[nH]c(-c2ccccn2)nc2c1CSCC2	13467796	RBVWEFJWVRUKIS-UHFFFAOYSA-N	245.307	1.621	0	30	BDAC	in-vitro
Cc1ccc(CC(=S)N2CCOCC2)cn1	81272	WVOZUSFJEFSTMW-UHFFFAOYSA-N	236.340	1.592	0	30	BDAC	
Cc1cc(Cl)ccc1NC(=N)NC(=N)N	20458497	CANIXRWFFXPTIO-UHFFFAOYSA-N	225.683	1.478	0	30	BDAC	
CC(C)(C)OC(=O)N1CCOC[C@]1(C)CO	306266474	DXNVPQDZAGYXEH-NSHDSACASA-N	231.292	1.005	0	30	BDAC	
CN(C)C(=S)Nc1ccc2c(c1)OCCO2	13659086	CRWAURQDMQWZKG-UHFFFAOYSA-N	238.312	1.716	0	30	BDAC	
NC(=O)c1ccc(CNC2CC2)c(F)c1	19422313	HCQBIDRFQYKENE-UHFFFAOYSA-N	208.236	1.177	0	30	BDAC	in-vitro
O=C1CC[C@H](O)CN1Cc1ccccc1	91361815	KZTIAEIAFIDXCI-NSHDSACASA-N	205.257	1.170	0	30	BDAC	
COc1cc(C=O)ccc1-n1cccn1	141207657	BVVQCIMSMJVSPL-UHFFFAOYSA-N	202.213	1.693	0	30	BDAC	
O[C@H]1CCC=C(Cc2ccccc2)[C@H]1O	2265351666	GAYNBJPEEMKCTJ-QWHCGFSZSA-N	204.269	1.671	0	30	BDAC	
Brc1cn2c(n1)COCC2	238036683	FIXVUVZJPMXIJP-UHFFFAOYSA-N	203.039	1.176	0	30	BDAC	
CCOC(=O)c1cnn2c1N[C@@H](C)CC2	233705706	LYUNDNQGNKVLCT-ZETCQYMHSA-N	209.249	1.264	0	30	BDAC	
CCOC(=O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)OCC	1082208731	XBFIUWWSZYLHFW-KXUCPTDWSA-N	241.287	1.559	0	30	BDAC	
COC(=O)c1cc(F)c(C)c(N)c1F	260215129	WKFHBYOULZIIDU-UHFFFAOYSA-N	201.172	1.642	0	30	BDAC	
CCOC(=O)C(=O)N1[C@H](C)CCC[C@H]1C	37714059	YXPMAWBCWXIFOT-RKDXNWHRSA-N	213.277	1.339	0	30	BDAC	in-vitro
COC(=O)CCc1cccc(C(=O)O)c1	140021725	FKPUNEVVQQPFRF-UHFFFAOYSA-N	208.213	1.490	0	30	BDAC	
Cc1ccc(F)cc1N1C[C@@H](C(=O)O)CC1=O	112617	WBWKJDPXSLQGKZ-QMMMGPOBSA-N	237.230	1.572	0	30	BDAC	
CCOC(=O)n1c(=O)n(CC#N)c2ccccc21	34147314	OXEJYDKHJKWROM-UHFFFAOYSA-N	245.238	1.331	0	30	BDAC	
NS(=O)(=O)c1scc(Cl)c1Cl	115316739	MSOITIYVJQQFCF-UHFFFAOYSA-N	232.113	1.702	0	30	BDAC	
CCCOc1c(O)cc(CCN)cc1O	39097089	BOYKQYDSSANGNA-UHFFFAOYSA-N	211.261	1.388	0	30	BDAC	
CS(C)(=O)=NC(=O)c1cccc(N)c1	146989934	XIEMDOLTLCUXLC-UHFFFAOYSA-N	212.274	1.137	0	30	BDAC	
CN1CCN(c2cc(F)ccc2C(=O)O)CC1	84536167	XGFIYVLTBKLHNP-UHFFFAOYSA-N	238.262	1.276	0	30	BDAC	
CCOC(=O)c1nc([C@H](N)CC(C)C)n[nH]1	85443456	NEGRNXARMXLAPK-SSDOTTSWSA-N	226.280	1.027	0	30	BDAC	in-vitro
Brc1ccn(C[C@@H]2CCOC2)n1	306538134	OOAUKSXZIOROLR-ZETCQYMHSA-N	231.093	1.682	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H](C2CC2)[C@H]1CN	238102785	WVMKLNFWGDTQHS-WDEREUQCSA-N	240.347	1.981	0	30	BDAC	
CC(C)(C)OC(=O)N1CC/C(=C/C(=O)O)C1	145085590	XEUSEMQUNYQXKQ-VURMDHGXSA-N	227.260	1.638	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]1C1CNC1	723456647	NXCVTKGYLGKDEV-SECBINFHSA-N	212.293	1.215	0	30	BDAC	
COC(C[C@@H](C[C@@H](C)OC)OC)OC	2013271	HESUCHCHWQCMAR-RKDXNWHRSA-N	206.282	1.435	0	30	BDAC	
O=C1CC[N+](=CC=Cc2ccccc2)N1	2265233883	ZDWUFNDKQGRCKA-UHFFFAOYSA-O	201.249	1.218	0	30	BDAC	
CC1(C)O[C@@H]2[C@H](O1)c1ccccc1[C@@H](N)[C@H]2O	2265351903	MXBSYWXVJDKRJV-KKOKHZNYSA-N	235.283	1.254	0	30	BDAC	
CC(=O)OCCN(C(C)=O)c1ccccc1	5196712	IGXHOQNEKVKXSV-UHFFFAOYSA-N	221.256	1.603	0	30	BDAC	
Cc1nc(-c2ccn(C)n2)sc1CC(=O)O	83571579	MKKGCPNOSUKZFX-UHFFFAOYSA-N	237.284	1.479	0	30	BDAC	
Nc1cc(-c2ccc(Br)nc2)[nH]n1	1536023716	ZBDQKQYKOYQQPJ-UHFFFAOYSA-N	239.076	1.816	0	30	BDAC	
CCOC(=O)N1CCC([C@H](C)N)CC1	82474867	GVAZRAUSCFPBMN-QMMMGPOBSA-N	200.282	1.202	0	30	BDAC	in-vitro
COc1ccc([C@@H]2CC(C)=NN2C(N)=O)cc1	32171311	AWAJYAWAONICJE-NSHDSACASA-N	233.271	1.897	0	30	BDAC	
O=C(OCc1ccccc1)N1CC[C@H]2NC[C@@H]21	585163884	NKNKCQYVKIXJES-NEPJUHHUSA-N	232.283	1.369	0	30	BDAC	
CCOC(=O)NC(=S)NC(=O)C(C)(C)C	4366821	XVXJSXQYICMXLI-UHFFFAOYSA-N	232.305	1.180	0	30	BDAC	
Cc1cnn2c(Br)cnc2n1	21994024	VVYDIUYRSRLWOA-UHFFFAOYSA-N	213.038	1.195	0	30	BDAC	
COC(=O)[C@H](N)Cc1ccc(Cl)c(F)c1	69554715	FIUKYBQYATXIMF-SECBINFHSA-N	231.654	1.522	0	30	BDAC	
CS(=O)(=O)c1ccc([C@H]2CCCN2)cc1	19406194	OYAAEDKXNSKBDC-LLVKDONJSA-N	225.313	1.515	0	30	BDAC	
C#C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CO1	140965702	MHWXWINFGYHRDC-NXEZZACHSA-N	225.288	1.692	0	30	BDAC	
Cc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1	201527620	YDQKPBTYJXJRRN-UHFFFAOYSA-N	236.120	1.249	0	30	BDAC	
O=C(O)c1ccc2cccc(O)c2c1O	203993915	XZBCNRVJDCCKBU-UHFFFAOYSA-N	204.181	1.949	0	30	BDAC	
Nn1c(-c2ccc(O)cc2)n[nH]c1=S	13532602	UIOJHWGJJIFRAT-UHFFFAOYSA-N	208.246	1.027	0	30	BDAC	
CC1(C)CN(c2ccc(C(=O)O)cc2)NC1=O	34541398	RZSMYBKVQYILRO-UHFFFAOYSA-N	234.255	1.262	0	30	BDAC	
N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)s1	39073047	ZXRWGWCNEFUQFC-FKTZTGRPSA-N	247.323	1.242	0	30	BDAC	
C[C@@H](Nc1ccc(C(=O)O)cc1)C(=O)O	39087126	RZAPRBYXMPEHOJ-ZCFIWIBFSA-N	209.201	1.270	0	30	BDAC	
N[C@H]1CCOC[C@@H]1OCc1ccccc1	38136693	VFZHBGRHGFTYGZ-RYUDHWBXSA-N	207.273	1.319	0	30	BDAC	
CO[C@@H](O)[C@](C)(F)C(=O)c1ccccc1	39055556	YHOZXUMZFSCQBD-GHMZBOCLSA-N	212.220	1.562	0	30	BDAC	
C[C@@H](N)[C@@H](O)Cc1cccc(Br)c1	96985930	SEWGHWTYHOOGIV-XCBNKYQSSA-N	244.132	1.700	0	30	BDAC	
Cn1nc(C2(C(F)(F)F)CC2)cc1N	725348661	MBHINGKCKCOAOS-UHFFFAOYSA-N	205.183	1.596	0	30	BDAC	
COCNC(=O)c1cc2ccccc2[nH]1	98181545	SZYOSKLHAJQLAP-UHFFFAOYSA-N	204.229	1.502	0	30	BDAC	
Nc1nc(=O)c2ccn(Cc3cccs3)c2[nH]1	4770195	DVCAHDKJYJJMRT-UHFFFAOYSA-N	246.295	1.417	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@@H]1CCCO1	228399702	KUUAEAFMDBFLMY-YUMQZZPRSA-N	245.275	1.143	0	30	BDAC	
O=C(OCc1ccccc1)N1CC[C@@H]2NC[C@@H]21	585163886	NKNKCQYVKIXJES-RYUDHWBXSA-N	232.283	1.369	0	30	BDAC	
COc1ccc(CCO)c(Br)c1	39120497	VINICEAUUVTAMA-UHFFFAOYSA-N	231.089	1.993	0	30	BDAC	
O[C@@]1(Cc2cccc(Cl)c2)CCNC1	82462357	QKUZDIBVTVITIO-LLVKDONJSA-N	211.692	1.607	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CCCC[C@@H]1N	4202876	GEHBIWVQKQLYNB-MRVPVSSYSA-N	200.282	1.692	0	30	BDAC	
CC(C)Cn1cc([C@H]2NCC23CCOCC3)cn1	1535197461	NZGWTYCSEFAQBM-CYBMUJFWSA-N	249.358	1.980	0	30	BDAC	
COC(=O)Cc1cccc(C(F)(F)F)n1	259630696	HQOGMSLANRUMCL-UHFFFAOYSA-N	219.162	1.816	0	30	BDAC	
COC(=O)[C@@]1(F)CCCCCCC1=O	757175540	QALOVNLUOJPBGW-SNVBAGLBSA-N	202.225	1.791	0	30	BDAC	
COC(=O)[C@@H]1SC2(CCCC2)SCC1=O	15042593	QBDXXAWKZUADEK-MRVPVSSYSA-N	246.353	1.847	0	30	BDAC	
Cc1nc(N)n(Cc2ccc(F)cc2)n1	70824070	OBHBNEHOOFEUNX-UHFFFAOYSA-N	206.224	1.356	0	30	BDAC	
O=C(OCc1ccccc1)N1CC[C@@]12CCNC2	91690599	CBCSBIYBWXQQPR-CQSZACIVSA-N	246.310	1.761	0	30	BDAC	
C=C[C@H](N[C@H](C(=O)O)c1ccccc1)C(=O)OC	38611075	XPHXXNDGPZIYJP-QWRGUYRKSA-N	249.266	1.130	0	30	BDAC	
CCOC(OCC)C(=O)c1nccn1C	86452794	DVAYTTVHUGQHTO-UHFFFAOYSA-N	212.249	1.002	0	30	BDAC	
CCOP(=O)(OCC)[C@@H](F)C(=O)O	96395038	XVVDJXADJFNWAZ-RXMQYKEDSA-N	214.129	1.633	0	30	BDAC	
CCOC(=O)c1ncn2cccc(F)c12	238284683	UQOXNGZUBCXLLM-UHFFFAOYSA-N	208.192	1.650	0	30	BDAC	
COC(=O)c1sncc1Br	212063538	KCLGDAAVIQSLAT-UHFFFAOYSA-N	222.063	1.692	0	30	BDAC	
CCOC(=O)c1cnn2c1N[C@H](C)CC2	233705697	LYUNDNQGNKVLCT-SSDOTTSWSA-N	209.249	1.264	0	30	BDAC	
COC(=O)C[C@](C)(N)c1cccc(F)c1	86851647	XXDJDTWVPFZLKM-NSHDSACASA-N	211.236	1.563	0	30	BDAC	in-vitro
O=C(O)CCC(=O)NC1Cc2ccccc2C1	146589	APNQLRCXXSXJHX-UHFFFAOYSA-N	233.267	1.135	0	30	BDAC	
COC(=O)c1cc(Cl)c(O)cc1OC	116983486	CGVQMFDUPUQCBB-UHFFFAOYSA-N	216.620	1.841	0	30	BDAC	
CCOC(=O)[C@@H](C)N(N)c1ccccc1	33946076	HSVCXTTUYNZELK-SECBINFHSA-N	208.261	1.318	0	30	BDAC	
N[C@H](CCO)C12CC3CC(CC(C3)C1)C2	82917715	UKLLGFBFAZHYMR-CRIDGIJHSA-N	209.333	1.913	0	30	BDAC	
CC(C)(C)OC(=O)NOCCCCCN	225829547	FXKUTWXGVCIJER-UHFFFAOYSA-N	218.297	1.572	0	30	BDAC	
CN1CCN(c2ccc(F)cc2C=O)CC1	37233687	BOMIWLCNCJKWPE-UHFFFAOYSA-N	222.263	1.390	0	30	BDAC	
Cc1ccc(NC(N)=S)cc1[N+](=O)[O-]	146833999	CVHXGMUOJUZNLQ-UHFFFAOYSA-N	211.246	1.559	0	30	BDAC	
CC(C)(C)OC(=O)N1CCN[C@H](CF)C1	107257024	WRGHYGKAWWZCLN-MRVPVSSYSA-N	218.272	1.165	0	30	BDAC	
COc1c(C=O)c(O)cc2oc(C)cc(=O)c12	5765086	HAYPHUYUTZEJQC-UHFFFAOYSA-N	234.207	1.628	0	30	BDAC	
COc1ccc(-c2ncc(C=O)[nH]2)cc1	39185821	JKVTUMUVHCCEBR-UHFFFAOYSA-N	202.213	1.898	0	30	BDAC	
CCOC(=O)[C@H]1CNC[C@H]1c1ccccc1	143959600	QRPKWKHMIUWDBI-RYUDHWBXSA-N	219.284	1.553	0	30	BDAC	
COc1cc(Cl)ccc1C[C@H](N)C(=O)O	83070997	CRVNEIVGFSMKNQ-QMMMGPOBSA-N	229.663	1.303	0	30	BDAC	
Cc1nc(C(=O)O)c(Br)s1	39121824	LACAQBIVCVSXHQ-UHFFFAOYSA-N	222.063	1.912	0	30	BDAC	in-vitro
COC(=O)c1c(F)ccc(N)c1S	39084963	UDBSMFZRKIKHRQ-UHFFFAOYSA-N	201.222	1.483	0	30	BDAC	
Nc1cc(F)c(Cl)cc1N1CCOCC1	236336718	IWLZPGQJSQNXDA-UHFFFAOYSA-N	230.670	1.898	0	30	BDAC	in-vitro
CCOC(=O)C[C@H]1Cc2ccccc2N1	38879562	SSARPHQMMQWBKD-SNVBAGLBSA-N	205.257	1.976	0	30	BDAC	
CC1(C)C[C@@H](N)C[C@](C)(CNCCC(=O)O)C1	38636272	RGKAWYALXRQNJW-MFKMUULPSA-N	242.363	1.594	0	30	BDAC	
C=CC(=O)OCC1OCC(CC)CO1	39100638	CONPXRVITYVGJG-UHFFFAOYSA-N	200.234	1.115	0	30	BDAC	
c1ccc2sc(-n3ccnn3)nc2c1	45237849	CXAYXNUQJIVODU-UHFFFAOYSA-N	202.242	1.877	0	30	BDAC	
Cc1cccc(O[C@H]2CCNC[C@H]2O)c1C	5782398	ZHFIAFNZGWCLHU-YPMHNXCESA-N	221.300	1.405	0	30	BDAC	in-man
NC(=O)c1nccc2c1[nH]c1ccccc12	13383318	JUXJIYPXDYCRKZ-UHFFFAOYSA-N	211.224	1.815	0	30	BDAC	
COc1ccc([C@@H]2[C@H](CO)CC(=O)N2C)cc1	68575841	JGWMURNQDNQMFL-GXFFZTMASA-N	235.283	1.207	0	30	BDAC	in-vitro
Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN	74942740	ULNUKJVDCAEMRH-GXSJLCMTSA-N	209.293	1.073	0	30	BDAC	
O[C@H]1CCCn2c(Br)cnc21	258167379	BOSKCKSGQMXXQI-YFKPBYRVSA-N	217.066	1.473	0	30	BDAC	
N[C@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1	685944676	NYGXCMYDQWYVCJ-INEUFUBQSA-N	205.183	1.329	0	30	BDAC	
CCOC(=O)N(C)C[C@@H]1CCN(C)C1	82432172	MEWZBLLGKDROLN-SECBINFHSA-N	200.282	1.026	0	30	BDAC	
Cn1cc([S@](=O)O)c(C(F)(F)F)n1	675062345	QNCOQLAKOFPRLI-UHFFFAOYSA-N	214.168	1.020	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@]21CN	725343493	RXLDDHKJEYNJNF-BXKDBHETSA-N	226.320	1.735	0	30	BDAC	
OCCc1csc(Br)n1	95830527	PYJGKNDTFRUDRN-UHFFFAOYSA-N	208.080	1.440	0	30	BDAC	in-vitro
COC(=O)C1(c2ccc(Cl)nc2)CC1	95803888	BQNPZKFQKMEKHZ-UHFFFAOYSA-N	211.648	1.940	0	30	BDAC	
O[C@@H]1CCN[C@@H]1c1ccc(Br)cc1	96987594	OZIKCIQMGZHCET-NXEZZACHSA-N	242.116	1.844	0	30	BDAC	
CC(C)(O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O	221342474	WIVLTTKGLJRFJH-SSDOTTSWSA-N	247.291	1.125	0	30	BDAC	
CC(=O)c1sc(N2CCOCC2)nc1C	109722	NHHRDMWJEFRQLG-UHFFFAOYSA-N	226.301	1.491	0	30	BDAC	
Cc1c(Br)ccc(C(N)=O)c1F	113213643	VOQXEDVIDBQYNA-UHFFFAOYSA-N	232.052	1.996	0	30	BDAC	
Cc1c(Br)cccc1[C@@H](N)CO	72198659	NNPQDKMHHVJPQI-VIFPVBQESA-N	230.105	1.750	0	30	BDAC	
O=c1[nH]ccc2ccc(Br)nc12	95763461	CWAREQUAQJZIFC-UHFFFAOYSA-N	225.045	1.686	0	30	BDAC	
Fc1cc(F)c(N2CCNCC2)c(F)c1	82151836	VXGQMYJMEDLZLB-UHFFFAOYSA-N	216.206	1.514	0	30	BDAC	in-vitro
COCc1cccnc1Br	117167369	VUFHXGCSXOQFOQ-UHFFFAOYSA-N	202.051	1.991	0	30	BDAC	
NCC(=O)Cc1ccc(Br)cc1	82351168	LLNUXEQYIBSHQJ-UHFFFAOYSA-N	228.089	1.519	0	30	BDAC	
CCOC(=O)c1ccc2c(O)cccn12	261334948	ZMRVERMAOZWLNU-UHFFFAOYSA-N	205.213	1.822	0	30	BDAC	
CN1CCc2nc3ccccc3c(N)c2C1	75622908	MLYXSBBYKPZBCK-UHFFFAOYSA-N	213.284	1.805	0	30	BDAC	
Cc1nnc(N2CCC3(CC2)OCCO3)s1	86111768	YFFOMTJKTSWCST-UHFFFAOYSA-N	241.316	1.190	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1C[C@H]2C=CC[C@@]2(CO)C1	104830590	VOLHNHGGWXWOLT-MFKMUULPSA-N	239.315	1.792	0	30	BDAC	
Cc1ccc([C@H]2CNC(=S)N2C)cc1	33895739	PBVUYLHTHWWOJQ-SNVBAGLBSA-N	206.314	1.856	0	30	BDAC	
CN1CCC2(CC1)CN[C@@H]1C=CC=C[C@H]12	223618733	ZBDZNVHMVVUJTC-VXGBXAGGSA-N	204.317	1.412	0	30	BDAC	
O=C(OCc1ccccc1)N1C[C@@H]2NCC[C@H]21	114861833	YBLYJVWXMJIJDA-NWDGAFQWSA-N	232.283	1.369	0	30	BDAC	
OC[C@@H]1CCCN1Cc1nc2c(s1)CCC2	132495522	HCENAOXIJPVTMZ-VIFPVBQESA-N	238.356	1.589	0	30	BDAC	
O=C(O)c1cn(-c2nc(C3CC3)ns2)cn1	83671901	JJEOZOSTYLXIMU-UHFFFAOYSA-N	236.256	1.299	0	30	BDAC	
COC(=O)c1cncc2[nH]cc(C=O)c12	713384502	LHGNUXZVHJOJIU-UHFFFAOYSA-N	204.185	1.162	0	30	BDAC	
CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)O)CO1	584880038	LIIMUSRCFSVPAE-BDAKNGLRSA-N	244.287	1.598	0	30	BDAC	
COC(=O)C[C@](C)(N)c1ccccc1F	86851632	JLOWLVXBZKPDNL-NSHDSACASA-N	211.236	1.563	0	30	BDAC	in-vitro
Cc1ccn(P(N(C)C)N(C)C)n1	96336281	GWTNPYBVTFNUFC-UHFFFAOYSA-N	200.226	1.390	0	30	BDAC	
COC(=O)Cc1ccc2c(c1)NCCC2	203896531	SHBHEXGCRKZAMN-UHFFFAOYSA-N	205.257	1.760	0	30	BDAC	
CCOC(COc1ccccn1)OCC	127464971	FNOGBVMSGROJBS-UHFFFAOYSA-N	211.261	1.860	0	30	BDAC	
O=C(O)c1cc(Cl)c(C2OCCO2)cn1	238717474	ICEBJBUHZZVFAW-UHFFFAOYSA-N	229.619	1.479	0	30	BDAC	
CC(C)(C)OC(=O)NO[C@@H](CO)C1CCCC1	257998241	PNXVZDIFQUTGCP-JTQLQIEISA-N	245.319	1.994	0	30	BDAC	
C[C@H](CC(=O)O)N(C)C(=O)OC(C)(C)C	138671919	XQHMMBUTUOAXHP-SSDOTTSWSA-N	217.265	1.717	0	30	BDAC	
CCO[C@H]1OC(C)=C(C(=O)OC)[C@H]1C	216169009	FIIQYDIKVKPOSS-LDWIPMOCSA-N	200.234	1.462	0	30	BDAC	
CC(C)(C)OC(=O)N1CCNCCC1(C)C	216358166	BKNTULJVNFYOEW-UHFFFAOYSA-N	228.336	1.995	0	30	BDAC	
O=[N+]([O-])C1=C[C@H]2C(Cl)=NC=N[C@@H]2C=C1F	607717058	UFJXTOPXCCIMNX-INEUFUBQSA-N	229.598	1.678	0	30	BDAC	
C[C@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1N	66354503	PIKUMWWWMLIKJN-WCQYABFASA-N	248.326	1.992	0	30	BDAC	
Brc1ccc(C2CNC2)nc1	216659316	VVAWGZDWSPQMKG-UHFFFAOYSA-N	213.078	1.531	0	30	BDAC	
CNS(=O)(=O)c1cccc2ccc(O)cc12	33606108	CIHWKPVSQYHCOX-UHFFFAOYSA-N	237.280	1.454	0	30	BDAC	
NC1=NN(c2nc3ccccc3s2)CC1	45237318	QGBFJPSIWJDZOO-UHFFFAOYSA-N	218.285	1.779	0	30	BDAC	
C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1	75824222	LXBCVBNECBVUQF-SECBINFHSA-N	228.336	1.994	0	30	BDAC	
C[C@@H](CNC(=O)OC(C)(C)C)[S@](=O)O	2265384692	KZKJCGNKMBOJHT-LURJTMIESA-N	223.294	1.121	0	30	BDAC	
CC(=O)C(C)(C)OC(=O)NCc1ccccn1	90888	RCURUROABKXFOF-UHFFFAOYSA-N	236.271	1.675	0	30	BDAC	
O=S(=O)(NCc1ccccc1)c1cccnc1	6234969	BPFQRGOFBYOROO-UHFFFAOYSA-N	248.307	1.560	0	30	BDAC	
Cc1nn(CC2CC2)c(C)c1CC(=O)O	68955005	DCHJHZAUVPRYCJ-UHFFFAOYSA-N	208.261	1.537	0	30	BDAC	
CC(=O)Nc1ccc(OP(=O)(O)O)cc1	38634145	PSQWZQGQIUGIRU-UHFFFAOYSA-N	231.144	1.117	0	30	BDAC	
NCc1ccc(Br)c(O)c1	82913469	PIYIHEHLCOHWHD-UHFFFAOYSA-N	202.051	1.613	0	30	BDAC	
COC(=O)c1ccc(N2C[C@H](C)N[C@@H](C)C2)cc1	84574131	UMLDOXCNVOGXDS-QWRGUYRKSA-N	248.326	1.660	0	30	BDAC	
O=C(Oc1ccccc1)c1ncccn1	98181302	NXPVDZHEBRIIMA-UHFFFAOYSA-N	200.197	1.696	0	30	BDAC	
FC1(F)CCN(CC2CCNCC2)CC1	258956270	SPLMXCQULNQHBW-UHFFFAOYSA-N	218.291	1.717	0	30	BDAC	
O=C1c2ccccc2C(=O)N1O[C@@H]1C=CCC1	34521510	ZLZXBIRCZUAYTE-SECBINFHSA-N	229.235	1.933	0	30	BDAC	
O=C(O)c1nc(Br)c2n1CCCC2	212573766	GUWDASFJHMNMMP-UHFFFAOYSA-N	245.076	1.680	0	30	BDAC	
O=P1(c2ccc(F)cc2)CCNCC1	114797191	WHEAJYGEMOYNJM-UHFFFAOYSA-N	213.192	1.417	0	30	BDAC	
CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1CO	2265385520	DQTVCXRJHJRBTN-VIFPVBQESA-N	227.304	1.768	0	30	BDAC	
CCc1nn2cc(-c3nonc3C)nc2s1	1030146	RNKIAJOYZMJJNQ-UHFFFAOYSA-N	235.272	1.712	0	30	BDAC	
CCOC(=O)[C@]12CCCCC[C@H]1NC(=O)C2	1535641155	RXWPOBMLSMGTKY-SKDRFNHKSA-N	225.288	1.389	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](CC2=O)C1	211336602	ZTFPZHQDUXIZOG-BDAKNGLRSA-N	225.288	1.832	0	30	BDAC	
Nc1nc2ccc(Br)cc2c(=O)o1	223727085	YHHDIEUCARUVDS-UHFFFAOYSA-N	241.044	1.533	0	30	BDAC	
Cc1nc(CC(=O)O)c(Br)s1	84305955	BZKSSYWTPGKAOA-UHFFFAOYSA-N	236.090	1.841	0	30	BDAC	
C[C@H]1CNC[C@H](C)C1NC(=O)OC(C)(C)C	143236441	BQMDYVTYDQVROM-IUCAKERBSA-N	228.336	1.755	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](N)CC12COC2	96987268	SJJAJFBYYNQAQQ-VIFPVBQESA-N	242.319	1.114	0	30	BDAC	
CCOC(=O)C(=O)CC(=O)c1ccc(O)cc1	138467609	GRZUZCSOAWGWIB-UHFFFAOYSA-N	236.223	1.097	0	30	BDAC	
COC(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1C21CC1	710031412	KXRWQFPKBCDLIB-FNCVBFRFSA-N	224.256	1.296	0	30	BDAC	
COc1cc(Cl)cc(CC(=O)O)c1	95763918	PHBCQRXWUOQBFN-UHFFFAOYSA-N	200.621	1.976	0	30	BDAC	
NS(=O)(=O)C[C@H]1CC2CCC1CC2	306168500	XUCIUHLYQUAPBI-AMDVSUOASA-N	203.307	1.101	0	30	BDAC	
NCCc1nc2ccccc2n1C1CCNCC1	75975969	GUWNTJBFQBQTDX-UHFFFAOYSA-N	244.342	1.462	0	30	BDAC	
O=C1NCC[C@H](OCc2ccccc2)C1(F)F	91692243	GFJWLNKSDBWKFW-JTQLQIEISA-N	241.237	1.727	0	30	BDAC	
OC[C@@H]1CCC[C@H]1O[C@@H]1CCCCO1	100454948	VGPZOQUMOOQFOH-HBNTYKKESA-N	200.278	1.691	0	30	BDAC	
COc1cc([C@@H]2NCCS2)ccc1O	60095388	ARBGBCQCAFWNDH-SNVBAGLBSA-N	211.286	1.736	0	30	BDAC	
CC[C@@]1(c2ccc(F)cc2)NC(C)=NC1=O	95924016	NSFDGBXWNRIILW-LBPRGKRZSA-N	220.247	1.979	0	30	BDAC	
O=C1c2ccccc2C(=O)N1O[C@H]1C=CCC1	34521509	ZLZXBIRCZUAYTE-VIFPVBQESA-N	229.235	1.933	0	30	BDAC	
CCC1(CC)OC[C@@H](COC(=O)OC)O1	39102064	JOOBBEBMQZMVDA-MRVPVSSYSA-N	218.249	1.701	0	30	BDAC	
COCOc1cc(C(=O)O)c(O)c(C)c1C	39110899	MKIIZNXJJJJNRZ-UHFFFAOYSA-N	226.228	1.690	0	30	BDAC	
CCOC(=O)/C=C\S/C=C\C(=O)OCC	31319543	WXIVZEGISIHXKT-SFECMWDFSA-N	230.285	1.873	0	30	BDAC	
COC(=O)c1cc(C)c(O)c(C(=O)OC)c1	21988926	ZUCXCLGDOOFLCH-UHFFFAOYSA-N	224.212	1.274	0	30	BDAC	
O=C(O)[C@@H]1[C@@H]2C[C@@H](c3ccccc32)[C@H]1C(=O)O	604936638	FMDJPIDUSFJPFC-LMLFDSFASA-N	232.235	1.673	0	30	BDAC	
C/C=C/CO[C@@H]1NC(=O)N[C@@H]1OC/C=C/C	5179215	DZLBWVZPOJJFOH-YVRBYKCLSA-N	226.276	1.137	0	30	BDAC	
N[C@H](CCC(=O)O)C(=O)c1c[nH]c2ccccc12	16698041	WXPJMCPZYFQWGL-SNVBAGLBSA-N	246.266	1.543	0	30	BDAC	
CCc1ccc(OC[C@H](O)CNC)cc1	19864612	MJSKFSOMTVXVSE-LLVKDONJSA-N	209.289	1.208	0	30	BDAC	in-vitro
COCCOCCNc1ccc(N)c(OC)c1	33610832	JBVZTNGDRBICPC-UHFFFAOYSA-N	240.303	1.352	0	30	BDAC	
CC(=O)N1CCC(NCc2cncs2)CC1	54771137	WHUTXVJLWRXHAI-UHFFFAOYSA-N	239.344	1.244	0	30	BDAC	in-vitro
CCOc1c(Nc2cccc(OC)c2)c(=O)c1=O	4347630	MRGCIHCREAPDEL-UHFFFAOYSA-N	247.250	1.434	0	30	BDAC	
C[C@@H]1CNCCCN1Cc1ccccc1	62569189	FBACUGZJIQWNBG-GFCCVEGCSA-N	204.317	1.870	0	30	BDAC	
CCOC(=O)c1ncncc1C(F)(F)F	396129640	ZHCPAONKTWUDKB-UHFFFAOYSA-N	220.150	1.672	0	30	BDAC	
COc1cc2c(cc1Br)C(=O)NC2	238393209	XQCYRBWOLQWKDK-UHFFFAOYSA-N	242.072	1.701	0	30	BDAC	in-vitro
COCc1noc(C)c1Br	115641417	FKKLSNLBZGYPDM-UHFFFAOYSA-N	206.039	1.892	0	30	BDAC	
CCCN(CCC)C(=O)CCC(=O)OCC	1694838	RKOVACICPIRRED-UHFFFAOYSA-N	229.320	1.978	0	30	BDAC	
CNCc1cccc(-c2noc(C)n2)c1	4271685	QSOPQWOPMDNJLF-UHFFFAOYSA-N	203.245	1.764	0	30	BDAC	in-vitro
CC(C)(C(=O)O)[C@H]1CC[C@H](C(=O)O)C1	5357525	QSRHRQWRLFGZKS-BQBZGAKWSA-N	200.234	1.598	0	30	BDAC	
O=C(O)[C@@H]1CCc2nc(C(F)(F)F)cn2C1	75989936	JMXRIOMJHLFHMD-RXMQYKEDSA-N	234.177	1.549	0	30	BDAC	
CCOC(=O)N1CCC([C@@H](C)N)CC1	82474866	GVAZRAUSCFPBMN-MRVPVSSYSA-N	200.282	1.202	0	30	BDAC	in-vitro
Cc1cnnc(I)c1	143607259	KNBPUUXVMMBKOE-UHFFFAOYSA-N	220.013	1.390	0	30	BDAC	
O=C(O)[C@H]1CNC[C@@H]1c1ccc(F)cc1F	68949408	BZKNJKWNSIUCCI-BDAKNGLRSA-N	227.210	1.352	0	30	BDAC	
CC(C)=CCC[C@@H](C)C[C@H](O)S(=O)(=O)O	6036274	FENZKIHQZXDTDV-NXEZZACHSA-N	236.333	1.965	0	30	BDAC	
CN(C)C=CC(=O)Oc1ccc(F)cc1	2265233875	JIMXLSDLPAULLJ-UHFFFAOYSA-N	209.220	1.806	0	30	BDAC	
N[C@H](C(=O)O)c1ccc2c(c1)CCCC2	72191216	TXAHVAOWCXEYDI-NSHDSACASA-N	205.257	1.650	0	30	BDAC	
C[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	148704326	YISREGIVFNMYSB-BDAKNGLRSA-N	231.292	1.003	0	30	BDAC	
O[C@@H]1C=Cc2ccc3ncccc3c2[C@H]1O	34120010	NCMNKLTXFXNWHC-YPMHNXCESA-N	213.236	1.656	0	30	BDAC	
CCOC(=O)c1cc2c(s1)CCNCC2	39386893	GPPCHCCJERMKCZ-UHFFFAOYSA-N	225.313	1.613	0	30	BDAC	
CCOC(=O)[C@H]1CCOc2ccccc2O1	71973269	NPNSQIUIAOONIQ-LLVKDONJSA-N	222.240	1.780	0	30	BDAC	
CCc1csc(NC2CCNCC2)n1	61894831	XWWIMUHZAVGCDH-UHFFFAOYSA-N	211.334	1.869	0	30	BDAC	
N[C@H](C(=O)O)c1csc(Br)c1	83335954	ODZZRBXYHLGZKY-YFKPBYRVSA-N	236.090	1.595	0	30	BDAC	
CCOC(=O)c1[nH]c2ncccc2c1N	45800813	SDFMQDALVNNPJG-UHFFFAOYSA-N	205.217	1.322	0	30	BDAC	
C[C@@H]1C[C@H](OC[C@H](O)CO)CC(C)(C)C1	148024066	XLNQVDHZDZPRJL-MXWKQRLJSA-N	216.321	1.571	0	30	BDAC	
CCOC(=O)[C@H](O)c1ccc(OC)c(OC)c1	5856815	TXKORQPSJUQGFY-LLVKDONJSA-N	240.255	1.300	0	30	BDAC	
NCCCCCCNC(=O)CCCCCO	33638064	PPTSELWQYYWEQG-UHFFFAOYSA-N	230.352	1.174	0	30	BDAC	
CC(C)OC(=O)N1CCC[C@@H]1C(=O)O	44238901	BPXYDXRQHFUKQG-SSDOTTSWSA-N	201.222	1.080	0	30	BDAC	
C[C@@H](C(=O)O)c1cnc2c(cnn2C)c1	107374281	PHRKZUHTKIRCHM-ZCFIWIBFSA-N	205.217	1.156	0	30	BDAC	
O=C(O)COc1ccc(C(F)(F)F)nc1	113654721	YVNWKSJDCNIRCA-UHFFFAOYSA-N	221.134	1.564	0	30	BDAC	
CCOC(=O)c1c(N)ccc(F)c1F	114401049	NENGDMNDGBSJCZ-UHFFFAOYSA-N	201.172	1.724	0	30	BDAC	
O=C1Nc2cc(Br)cc(F)c2C1=O	117865752	PHQWEYATTZPVMV-UHFFFAOYSA-N	244.019	1.723	0	30	BDAC	
COc1ccc(-c2cn[nH]c2N)c(OC)c1	19094066	WGLXODMFXVOPHS-UHFFFAOYSA-N	219.244	1.676	0	30	BDAC	
O=C1Cc2cc(C(=O)C3CCNCC3)ccc2N1	19421761	KGMGXJSYTKIRAE-UHFFFAOYSA-N	244.294	1.364	0	30	BDAC	
CNC(=S)NCCc1csc(C)n1	42625169	BWBYNMBSQYGUKU-UHFFFAOYSA-N	215.347	1.088	0	30	BDAC	
NC(=S)c1nc(-c2ccccc2)oc1N	111755	BQZMBDROZJKJJV-UHFFFAOYSA-N	219.269	1.558	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@H](CON)C1	32015929	AQQVITRJICCNME-SECBINFHSA-N	230.308	1.524	0	30	BDAC	
O=C(O)c1ccc(OCCO)c(Cl)c1	42220602	JFIQNEGDBVSVHI-UHFFFAOYSA-N	216.620	1.409	0	30	BDAC	
CCOC(=O)c1ccc2c(N)cccn12	259614152	FFPQEDCQQQPGGL-UHFFFAOYSA-N	204.229	1.698	0	30	BDAC	
CCN[C@@H](CCc1ccccc1)C(=O)O	59835464	SKFVUIGJNWPKMX-NSHDSACASA-N	207.273	1.682	0	30	BDAC	
COC(=O)CC[C@H]1CC2(CCC1=O)OCCO2	4336601	SFTQBDKZDPCZTN-VIFPVBQESA-N	242.271	1.052	0	30	BDAC	
O=C([C@@H]1OCCc2ccccc21)N1CCCC1	16857411	KECQQKZGBMJNNQ-CYBMUJFWSA-N	231.295	1.923	0	30	BDAC	in-vitro
CCOP(=O)(OCC)[C@H](C)C(=O)O	36448786	VQGJFXYTWXPKHV-ZCFIWIBFSA-N	210.166	1.726	0	30	BDAC	
COC(=O)[C@@H]1[C@H]2CC[C@@]1([C@H]1CCCNC1)C2	958536830	PAFDKGGSLBRPIA-ZPFDUUQYSA-N	223.316	1.575	0	30	BDAC	
OC[C@H]1O[C@@H]1c1ccc(Br)cc1	6093232	NFJNOLUOXBCBDP-RKDXNWHRSA-N	229.073	1.881	0	30	BDAC	
COc1ccc([C@@]23CO[C@@H](C2)[C@@H]3C(=O)O)cc1	757543983	PDVBBRCHGGBHOT-LOWVWBTDSA-N	234.251	1.436	0	30	BDAC	
c1ccc(CN2CC[C@H]3CCN[C@H]32)cc1	307158817	BLJHUEHDYDJFMY-OLZOCXBDSA-N	202.301	1.828	0	30	BDAC	
CC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1	218248679	PCAMLYJXPMVOBV-UHFFFAOYSA-N	213.277	1.832	0	30	BDAC	
O=C(O)COCc1ccc(Cl)cc1	1605681	FOMOXGLITYUIRE-UHFFFAOYSA-N	200.621	1.941	0	30	BDAC	
CCCCCCOCCOP(=O)(O)O	5820328	LTHORJNUXJXZCK-UHFFFAOYSA-N	226.209	1.693	0	30	BDAC	
C[C@@H]1N[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H]1C	307526737	IPQYEIDFNYVNKF-KXUCPTDWSA-N	228.336	1.992	0	30	BDAC	
O=C(O)CC[C@@H]1CCC[C@H](CCC(=O)O)C1=O	83677	VNBPUTCYQIGOAH-DTORHVGOSA-N	242.271	1.701	0	30	BDAC	
O=C(C1Cc2ccccc2C1)N1CCOCC1	168740	KPFJLZTYQIYWHA-UHFFFAOYSA-N	231.295	1.260	0	30	BDAC	
CC(=O)O[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1	21990936	KSRJRUTXLAQMEK-ZJUUUORDSA-N	241.287	1.771	0	30	BDAC	
COc1ccccc1N1C[C@@H](C(=O)O)CCC1=O	51602738	IOPGLRDFNCXXJD-VIFPVBQESA-N	249.266	1.523	0	30	BDAC	in-vitro
OC1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2	82462570	RSSJZKTVBGLHTH-PBWFPOADSA-N	217.312	1.875	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)NCc1cc(C(N)=O)co1	95883501	FQACDDCZBDVOLU-UHFFFAOYSA-N	240.259	1.403	0	30	BDAC	
CCOC(=O)[C@H](C)N(N)c1ccccc1	33946077	HSVCXTTUYNZELK-VIFPVBQESA-N	208.261	1.318	0	30	BDAC	
CC(C)(C)OC(=O)NC1CC(C(=N)NO)C1	1535405653	KCISQYYTOPNBMO-UHFFFAOYSA-N	229.280	1.246	0	30	BDAC	
COc1ccc2c(C(=O)O)cncc2c1	77259433	IWXOSZJXRULUOE-UHFFFAOYSA-N	203.197	1.942	0	30	BDAC	
CSc1n[nH]c(=O)n1-c1cccc(Cl)c1	13657927	XMEUYGSEMPMZKT-UHFFFAOYSA-N	241.703	1.936	0	30	BDAC	
CCOC(=O)c1ccc(CC[C@@H](O)CN)s1	34434467	MWKRJELNBCSJGI-MRVPVSSYSA-N	243.328	1.177	0	30	BDAC	
COC(=O)[C@H]1NCCCc2ccccc21	211791726	XFXVFBGUOZBYEB-NSHDSACASA-N	205.257	1.437	0	30	BDAC	
O=C(O)C12CC(I)(C1)C2	2265360041	SWPITRLQRINPDM-UHFFFAOYSA-N	238.024	1.429	0	30	BDAC	
COc1ccc(CN2CC[C@@H]2CN)cc1	521398985	IGATUJRVDKEGIF-LLVKDONJSA-N	206.289	1.228	0	30	BDAC	in-vitro
COc1c(N)cc(O)cc1Br	238425089	YZAAJECQKMFMMW-UHFFFAOYSA-N	218.050	1.746	0	30	BDAC	
C[C@]1(CN)CCCN1C(=O)c1cccnc1	259230664	RJBRVHIFZIRVRU-GFCCVEGCSA-N	219.288	1.035	0	30	BDAC	
CN=[S@@](=O)(c1ccc(N)cc1)N(C)C	238317095	VNWDHAJQRIOCTA-AWEZNQCLSA-N	213.306	1.202	0	30	BDAC	
CCOC(=O)[C@H](N)[C@H](C)c1ccccc1	41046468	JJJCCMPPURKHIM-MWLCHTKSSA-N	207.273	1.681	0	30	BDAC	
CCN(CCS(=O)(=O)O)c1cccc(C)c1	33505854	SVDAGORERCSAIV-UHFFFAOYSA-N	243.328	1.709	0	30	BDAC	
C[C@@H](O)CN(C[C@@H](C)O)C1CCCCC1	5751353	QMEZIAQDVYFSDQ-GHMZBOCLSA-N	215.337	1.383	0	30	BDAC	
C[C@@H](NC(=O)OC(C)(C)C)C(N)=S	33835354	WNBYIVHXPVFKHC-RXMQYKEDSA-N	204.295	1.186	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C12CCC2	306788183	WXGBLIVTVFWNQT-DTWKUNHWSA-N	227.304	1.815	0	30	BDAC	
C[C@H](O)Cc1ccccc1S(C)(=O)=O	63037904	CUQHTNZORNLLQA-QMMMGPOBSA-N	214.286	1.013	0	30	BDAC	in-vitro
Nc1nc(Cl)nc(Oc2cccc(O)c2)n1	6092522	GJZDKVVLCRMNJK-UHFFFAOYSA-N	238.634	1.605	0	30	BDAC	
Nc1c2c(nc3ccccc13)C[C@@H](O)C[C@H]2O	13899667	OUZJMSBCLSBRRD-RDDDGLTNSA-N	230.267	1.158	0	30	BDAC	
CC(C)(C)OC(=O)[C@H]1C[C@](C)(C(=O)O)C1	950757220	IFAGPUJTBGVORN-AGGWVSIMSA-N	214.261	1.829	0	30	BDAC	
CC(C)(C)OC(=O)N1CC([S@@](C)(=N)=O)C1	1536221615	XBAGTXLLGNUZGR-HNNXBMFYSA-N	234.321	1.282	0	30	BDAC	
Nc1c(F)cc(O)cc1Br	34543687	DOPYFZKJWNMJKQ-UHFFFAOYSA-N	206.014	1.876	0	30	BDAC	
Cc1cc2ccc(C(=O)O)cc2c(O)n1	258345083	VRRCSLQVMKMCDJ-UHFFFAOYSA-N	203.197	1.947	0	30	BDAC	
CCOC(=O)COC(F)(F)C(F)(F)F	96308534	QHNPNLREUATKCU-UHFFFAOYSA-N	222.109	1.721	0	30	BDAC	in-vitro
Cc1[nH]nc(I)c1Cl	146777962	BHNQYEWPSJMFRV-UHFFFAOYSA-N	242.447	1.976	0	30	BDAC	
CCOC(=O)N1C[C@H](C)[C@@H](N)[C@H](C)C1	307469032	SHTUTXIOXCCHBW-BRPSZJMVSA-N	200.282	1.058	0	30	BDAC	
Cc1cnc2nc(Br)nn2c1	215220739	YFQJBLNUOWBVBO-UHFFFAOYSA-N	213.038	1.195	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)O)C1	584880378	SNFJFCWJDFDLSN-JOAULVNJSA-N	241.287	1.764	0	30	BDAC	
CC(C)(C(=O)O)[C@@H]1CC[C@@H](C(=O)O)C1	5357429	QSRHRQWRLFGZKS-RNFRBKRXSA-N	200.234	1.598	0	30	BDAC	
COc1ccc(Cc2nc(C)nnc2O)cc1	134145	CTHFTDONOMKTNM-UHFFFAOYSA-N	231.255	1.485	0	30	BDAC	
CCC[C@@H]1OC(=O)[C@H](CCC)OC1=O	96328541	KIFNCRCPGMECJU-YUMQZZPRSA-N	200.234	1.424	0	30	BDAC	
Nc1c(Br)ccc2c1CCO2	82320415	UXUJJFICSYIHDS-UHFFFAOYSA-N	214.062	1.966	0	30	BDAC	
COC(=O)C(C)(C)C(=O)OC(C)(C)C	87493237	ZXTMFWHKFMRXOI-UHFFFAOYSA-N	202.250	1.527	0	30	BDAC	
Cc1c(Cl)c(-c2ncco2)nn1CC(=O)O	202539800	IZAXGDHHSZZDJC-UHFFFAOYSA-N	241.634	1.585	0	30	BDAC	
C[C@@H](N)[C@@H](CCS(=O)(=O)O)c1ccccc1	223478467	RREORYRAWWGXNP-MWLCHTKSSA-N	243.328	1.395	0	30	BDAC	
CCn1c(=O)c(C(=O)O)cc2ccccc21	16697924	ZBHCDQLTPASLLY-UHFFFAOYSA-N	217.224	1.720	0	30	BDAC	
COC(=O)[C@@H](N)Cc1csc2ccccc12	34169274	VUVMPTUNNSSQIB-JTQLQIEISA-N	235.308	1.944	0	30	BDAC	
Nc1cnn(-c2ncccc2Br)c1	42376114	JSMBDRXCGHZTFD-UHFFFAOYSA-N	239.076	1.612	0	30	BDAC	in-vitro
N[C@@H]1CCCC[C@H]1Nc1ccc(Cl)nn1	38050636	CTYHBTBZMATMLT-HTQZYQBOSA-N	226.711	1.812	0	30	BDAC	
O=C(O)[C@H](Br)C[C@@H]1CCCO1	223549468	IKKGARIRKHKGSL-NTSWFWBYSA-N	223.066	1.404	0	30	BDAC	
COc1cc(OCCCN(C)C)ccc1N	82523839	UXAZEVGGTSJIPY-UHFFFAOYSA-N	224.304	1.608	0	30	BDAC	
C[C@@H](CC(=O)O)c1ccc2c(c1)OCO2	20259940	FVUFJLPORDLVTB-ZETCQYMHSA-N	208.213	1.994	0	30	BDAC	
COC(=O)c1cncc2c(O)cc(O)cc12	39098104	HCLIIPXGEWYQOO-UHFFFAOYSA-N	219.196	1.433	0	30	BDAC	
COC(=O)[C@@H](N)[C@H]1CCc2ccccc21	34216993	FJHKXJFEAMOZFF-QWRGUYRKSA-N	205.257	1.217	0	30	BDAC	
COC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1	34364727	SGFAUQHDEFHPAQ-UWVGGRQHSA-N	223.297	1.563	0	30	BDAC	
O[C@@H]1COc2cc(Br)ccc2C1	95642348	KVTIUBQAHQFWQF-QMMMGPOBSA-N	229.073	1.745	0	30	BDAC	
CC(C)(C)N(Cc1ccccc1)C[C@@H](O)CN	33506767	QBYBTRGJFDHZKL-ZDUSSCGKSA-N	236.359	1.607	0	30	BDAC	
CCCCOCCO[C@H](C)COC[C@@H](C)O	33638044	ZENPKPOPTRKSMJ-VXGBXAGGSA-N	234.336	1.606	0	30	BDAC	
CN1CC[C@@H](N)[C@@H]1c1ccc(F)c(F)c1	69798790	SSVHXBQGSQFNJU-MNOVXSKESA-N	212.243	1.669	0	30	BDAC	in-vitro
Nc1nc(-c2ccoc2)ncc1C(=O)O	124396868	NBRBLRGRUICSNI-UHFFFAOYSA-N	205.173	1.017	0	30	BDAC	
O=C(Nc1ccccc1F)N[C@H]1CCNC1	36288041	VNWFRNRQQJMFQJ-QMMMGPOBSA-N	223.251	1.309	0	30	BDAC	
Brc1ccnc2c1OCO2	84309185	VITHYEBBFYQSIT-UHFFFAOYSA-N	202.007	1.573	0	30	BDAC	
O=C(O)c1sc(N2CCOCC2)nc1Cl	82261332	XEVUBSSDXQJFSR-UHFFFAOYSA-N	248.691	1.331	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)O	238095350	JBBMXPFFCFHKDD-NKWVEPMBSA-N	200.234	1.439	0	30	BDAC	
CCOC(=O)C[C@H]1CCCCC12OCCO2	96300461	RQCRKRWTYLZRSX-SNVBAGLBSA-N	228.288	1.873	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CCNC[C@H]1C(F)F	203955129	FQCASEFLOGAOJM-ZETCQYMHSA-N	236.262	1.460	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]1CCC(=O)O	211543338	JIBKOWDKEKHEEY-MRVPVSSYSA-N	229.276	1.861	0	30	BDAC	
CC1(C)CC(=O)CC(C)(C)S1(=O)=O	215079435	SYCJDLSRWOPXHM-UHFFFAOYSA-N	204.291	1.321	0	30	BDAC	
CC(C)(C)OC(=O)CCCCC[C@H](N)C(=O)O	95933252	LVZWGNMPKUWSEF-VIFPVBQESA-N	245.319	1.691	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC([C@H](F)CO)CC1	66351502	QGEYVOBSVRXLBI-SNVBAGLBSA-N	247.310	1.964	0	30	BDAC	
COC(OC)[C@H](O)c1ccc(F)c(F)c1	84990336	GAUYJXCDJWWILB-SECBINFHSA-N	218.199	1.617	0	30	BDAC	in-vitro
CCO[C@@H]1CC(=O)[C@@H]1Oc1ccccc1	95882043	SRDZRPSVMKJAFI-NEPJUHHUSA-N	206.241	1.812	0	30	BDAC	
CN1C(=O)[C@H](N)c2ccc(Br)cc21	104827917	CEWACLUGGBAFRP-MRVPVSSYSA-N	241.088	1.425	0	30	BDAC	
O=C(NC[C@@H]1CNCC12CCC2)C(F)(F)F	575513524	DUVVDYZKTFGEBD-ZETCQYMHSA-N	236.237	1.055	0	30	BDAC	
CC(C)(C)OC(=O)c1c(N)nc2n1CCC2	725262581	XGLZPBWIMZWRGX-UHFFFAOYSA-N	223.276	1.367	0	30	BDAC	
COc1ccc(C[C@@H](CN=[N+]=[N-])C(N)=O)cc1	200050380	FLBVSSHFKSPCLT-VIFPVBQESA-N	234.259	1.650	0	30	BDAC	
CC(=O)Nc1nc2ccc(O)cc2s1	1509387	IIRAQYOKWILALQ-UHFFFAOYSA-N	208.242	1.960	0	30	BDAC	
COC(=O)[C@H](N)c1cc(F)cc(F)c1	84932721	MIFHKOUGNLCIIJ-MRVPVSSYSA-N	201.172	1.138	0	30	BDAC	
CCO[C@H]1C[C@H](C)C=C(C(=O)OC)O1	39098992	UZZYDOPYIMRYJH-VXNVDRBHSA-N	200.234	1.462	0	30	BDAC	
CC(=O)N1CC[C@H](N)c2ccc(F)cc2C1	95829689	FQGMSZLBARVVOU-LBPRGKRZSA-N	222.263	1.578	0	30	BDAC	
CCC(CC)(CC)[C@H](NC(C)=O)C(=O)O	395214273	JPCPFKBKFKYPIF-SECBINFHSA-N	215.293	1.792	0	30	BDAC	
OCC1(c2ccccn2)CCC2(CC1)OCCO2	149451701	TZTWMFKYZNLPRO-UHFFFAOYSA-N	249.310	1.629	0	30	BDAC	
COC(=O)c1cnc2c(c1)cc(C(=O)O)n2C	675050849	UKNHAGPULAKCIV-UHFFFAOYSA-N	234.211	1.058	0	30	BDAC	
CC(=O)Nc1nc(C)c(CCC(C)C)c(=O)[nH]1	18155565	KFAVZULLJGZHNY-UHFFFAOYSA-N	237.303	1.625	0	30	BDAC	
O=C(O)[C@@H]1CCCc2cc3c(cc21)OCCO3	28825658	DKTAINRLXYBDQC-SECBINFHSA-N	234.251	1.962	0	30	BDAC	
COCC(=O)Nc1ccc(C)c(C(=O)O)c1	58019726	JGEOAJRLYHXQMX-UHFFFAOYSA-N	223.228	1.278	0	30	BDAC	in-vitro
COc1ccc2cc(C(=O)O)ncc2c1	34502180	CQVOLMIAFMVGMJ-UHFFFAOYSA-N	203.197	1.942	0	30	BDAC	
N[C@H]1CC(=O)N(c2c(F)cccc2F)C1	35679791	JIWBRKIXAIFOSC-LURJTMIESA-N	212.199	1.029	0	30	BDAC	in-vitro
CC[C@H]1CN[C@H](CC)CN1CC(C)(C)O	83117734	VACVPDFFRSEHPU-MNOVXSKESA-N	214.353	1.220	0	30	BDAC	in-vitro
COc1cc(Br)cc(C(=O)O)n1	95761414	ADVSZVFLCMWHGR-UHFFFAOYSA-N	232.033	1.551	0	30	BDAC	
O=C1OCCCOC(=O)[C@@H]2CCCC[C@@H]12	141979628	ALIKYTIVBISXPO-RKDXNWHRSA-N	212.245	1.283	0	30	BDAC	
CCC(=O)N[C@H]1CCc2ccc(OC)cc2C1=O	5977769	VRUWWWJHIKQWDV-LBPRGKRZSA-N	247.294	1.719	0	30	BDAC	in-vitro
CCc1ccc(OC[C@@H](O)CNC)cc1	19864610	MJSKFSOMTVXVSE-NSHDSACASA-N	209.289	1.208	0	30	BDAC	in-vitro
C=COc1ccc(S(=O)(=O)O)cc1	33609057	HSWUAGZRTRVDRA-UHFFFAOYSA-N	200.215	1.456	0	30	BDAC	
COCOc1cc2c(cc1OC)CCC2=O	77291692	TYEJHZHKEZIBED-UHFFFAOYSA-N	222.240	1.807	0	30	BDAC	in-vitro
CN1CCC(NC[C@H]2C[C@H]3C=C[C@H]2C3)CC1	102526214	XONYYPVLFNIHLU-RWMBFGLXSA-N	220.360	1.882	0	30	BDAC	in-vitro
Cc1cccc(N(C[C@H](C)O)C[C@@H](C)O)c1	38613609	AGRSZBOCZMNJIN-TXEJJXNPSA-N	223.316	1.563	0	30	BDAC	
CCO[C@H]1CCCC[C@@H]1N1CCOCC1	39099955	AFTFWZMXYMSIDT-RYUDHWBXSA-N	213.321	1.666	0	30	BDAC	
CCC1=CC(=O)c2c(O)ccc(O)c2C1=O	32252309	FBDSXHWBGHODGZ-UHFFFAOYSA-N	218.208	1.813	0	30	BDAC	
COc1cc2c(c(OC)c1)CC[C@@H](N)C2	57938579	FYLALVXQAHKDPE-SECBINFHSA-N	207.273	1.520	0	30	BDAC	
CCOC(=O)c1cc(C)n2nccc2n1	96032457	CPUUJUPNKVHGCZ-UHFFFAOYSA-N	205.217	1.214	0	30	BDAC	
O=C(N1CCc2ccoc2C1)C(F)(F)F	39055773	WKEPCFYOXVYXLH-UHFFFAOYSA-N	219.162	1.727	0	30	BDAC	
NC1CC2(C1)CN(C(=O)OCc1ccccc1)C2	306541127	PNYGZVHTMBPGRA-UHFFFAOYSA-N	246.310	1.746	0	30	BDAC	
COC(=O)c1c(N)n(C)c2ccccc12	39085374	DAMCARJCXRZFGM-UHFFFAOYSA-N	204.229	1.547	0	30	BDAC	
COc1ccc2[nH]cc(C=O)c2c1OC	38301992	LTXRTAZYJSKWKT-UHFFFAOYSA-N	205.213	1.998	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H](C(=N)N)C1CC1	70650200	MKUXUJGTYKATFM-SSDOTTSWSA-N	213.281	1.226	0	30	BDAC	
Cc1nc(C2CCNCC2)nc(C)c1C	70946975	OSEAPIHWSPIMFC-UHFFFAOYSA-N	205.305	1.869	0	30	BDAC	
COC1(CN)CCN(Cc2ccccc2)CC1	82046870	MDWLGRJPGIONHW-UHFFFAOYSA-N	234.343	1.626	0	30	BDAC	
C[C@H](CSC(N)=S)SC(N)=S	140236168	QSZOMCLHJKGKED-GSVOUGTGSA-N	226.417	1.329	0	30	BDAC	
N[C@@]1(c2ccc(OC(F)F)cc2)CCOC1	699404088	KRFQCOFEXHCHNN-NSHDSACASA-N	229.226	1.862	0	30	BDAC	
CC[C@H](C)NC[C@H](O)c1ccc(N)cc1	2003345	UWYLQWLJGMLJQF-CABZTGNLSA-N	208.305	1.690	0	30	BDAC	in-man
COC(=O)C[C@](C)(N)c1cccc(OC)c1	86851290	CQIFDPSWHVAVGQ-LBPRGKRZSA-N	223.272	1.432	0	30	BDAC	
Cc1cc(Cl)c(S(N)(=O)=O)c(Cl)c1	203969651	HVQNJYKQZPOELN-UHFFFAOYSA-N	240.111	1.949	0	30	BDAC	
NC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1	334163919	YORAEQHAFXERPL-GWCFXTLKSA-N	231.299	1.092	0	30	BDAC	
O=C(CCOc1ccccc1)NC[C@@H]1CCCO1	21145192	LDRSLCDZAMWSCL-ZDUSSCGKSA-N	249.310	1.751	0	30	BDAC	
O=C(O)c1cnn(CCO)c1-c1ccccc1	42188416	CFHMGMSCMIYRIH-UHFFFAOYSA-N	232.239	1.241	0	30	BDAC	in-vitro
Cc1[nH]nc(C(=O)N(C)c2ccccc2)c1N	50305282	ZCAULCCRHLUCDQ-UHFFFAOYSA-N	230.271	1.577	0	30	BDAC	in-vitro
CN(C)c1ccc(-c2cnc(CN)[nH]2)cc1	84933185	ZZFFDHXCEGJBKO-UHFFFAOYSA-N	216.288	1.601	0	30	BDAC	
COc1cc(/C=C/C(N)=O)cc(OC)c1OC	1157	LRLKZVMLJBNNPE-SNAWJCMRSA-N	237.255	1.211	0	30	BDAC	in-man
CC(C)(C)Oc1ccc([S@](=O)O)cn1	675062275	OJSCTVZULISXFP-UHFFFAOYSA-N	215.274	1.840	0	30	BDAC	
N[C@@H](C(=O)O)c1cccc(C(F)(F)F)c1F	76135390	GTKIJBKEZHNBGX-SSDOTTSWSA-N	237.152	1.929	0	30	BDAC	
O=C(O)c1cn(Cc2ccccc2)cc(O)c1=O	144121733	NLWARHJGLZKMGA-UHFFFAOYSA-N	245.234	1.300	0	30	BDAC	
CCOC(=O)[C@@H]1CCC(=S)N2CCC=C12	100292849	SLDNYRLQIMPMHO-MRVPVSSYSA-N	225.313	1.877	0	30	BDAC	
CC(C)(O)C(C)(C)OB(O)c1cccs1	198088844	UPIYZWILPPWHKY-UHFFFAOYSA-N	228.122	1.002	0	30	BDAC	
CC[C@@]1(c2ccc(N)cc2)CC(=O)N(C)C1=O	5140147	XLADWPWIZJWNRM-ZDUSSCGKSA-N	232.283	1.305	0	30	BDAC	
Cc1cnc(NC(=O)[C@H]2CCCNC2)s1	19410879	IRDFFYBOIKFODT-QMMMGPOBSA-N	225.317	1.390	0	30	BDAC	
COC(=O)C1CC(N)(c2ccc(O)cc2)C1	1535640726	XLKUOANEGCLRSZ-UHFFFAOYSA-N	221.256	1.129	0	30	BDAC	
Cc1cc(NS(=O)(=O)c2cccs2)n[nH]1	164973	OLCCZAXZENQOBT-UHFFFAOYSA-N	243.313	1.580	0	30	BDAC	
Cc1ccccc1[C@@]1(C)OC[C@H](CO)O1	2037891	RRJZBWCMQLDFRF-JQWIXIFHSA-N	208.257	1.575	0	30	BDAC	
CCOC(=O)c1nc2ccccc2c(=O)o1	3650015	VLBIKPWFWFWRCF-UHFFFAOYSA-N	219.196	1.365	0	30	BDAC	
Nc1cc(-c2cccc3c2OCC3)[nH]n1	258157109	PCPOIUMXOFTECA-UHFFFAOYSA-N	201.229	1.594	0	30	BDAC	
CN[C@@H]1CCCCN1C(=O)OC(C)(C)C	72194410	SREOWIJUADGCQP-VIFPVBQESA-N	214.309	1.953	0	30	BDAC	
Cc1nnc2ccc(C(=O)O)cc2c1C	31894526	NZLXMIDRIKRNOV-UHFFFAOYSA-N	202.213	1.945	0	30	BDAC	
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)O	11890155	OLZMLDKOPZADGZ-QMMMGPOBSA-N	215.293	1.648	0	30	BDAC	
O=C1C[C@@H](C2CCC(F)(F)CC2)CN1	145399965	RRPRNAXMTWGSSU-MRVPVSSYSA-N	203.232	1.948	0	30	BDAC	
CC(C)(C)OC(=O)N1[C@H](CN)C[C@@H]2OCC[C@H]21	757122915	OIMPGVGLMDMDKP-AEJSXWLSSA-N	242.319	1.112	0	30	BDAC	
CCC[C@H](NC(=O)c1ccccc1)C(N)=S	42352923	BPCHAJADWLDUTN-JTQLQIEISA-N	236.340	1.871	0	30	BDAC	in-vitro
CC1(C)CN(CCC(=O)O)CCS1	129818596	CMLJLZAWYXUMGM-UHFFFAOYSA-N	203.307	1.289	0	30	BDAC	
CC(C)Oc1cccc([C@H](N)CC(=O)O)c1	40641088	UQYQZDUNSWFSNB-LLVKDONJSA-N	223.272	1.948	0	30	BDAC	
NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O	83777320	AKWFXFCXGOXDND-CHWSQXEVSA-N	223.291	1.858	0	30	BDAC	
CCOC(=O)CC(=O)c1cccc(C)n1	82451859	AFZCUUFXTFXYJV-UHFFFAOYSA-N	207.229	1.526	0	30	BDAC	
O=C(O)[C@H]1CC(=O)N(c2cc(F)ccc2F)C1	19398276	ZHZMVBGSAVVDRX-LURJTMIESA-N	241.193	1.402	0	30	BDAC	
Nc1cc(Br)c(Cl)nc1N	116533062	MXCKGXFQPDMHBA-UHFFFAOYSA-N	222.473	1.662	0	30	BDAC	
CC[C@@]1(c2ccccc2)C(=O)NC(=O)N1C	4213816	NEGMMKYAVYNLCG-GFCCVEGCSA-N	218.256	1.474	0	30	BDAC	biogenic,in-man
Cn1c(=O)[nH]c2cc(Br)cnc21	38674373	BEIHAUJWQREPNF-UHFFFAOYSA-N	228.049	1.024	0	30	BDAC	
CNNC(=S)Nc1ccc(OC)cc1	98310	IWFOBKOKJFJACK-UHFFFAOYSA-N	211.290	1.116	0	30	BDAC	
CCc1ccc(CN2CCNCC2)nc1	22872359	FTSLVXFHZRSBBU-UHFFFAOYSA-N	205.305	1.049	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(C2(O)CC2)C1	1535985345	BIHYKGFTMYTOLR-UHFFFAOYSA-N	213.277	1.378	0	30	BDAC	
CCOC(=O)c1cc(N)cc2[nH]ccc12	89204555	IOIPCTASQXMKMV-UHFFFAOYSA-N	204.229	1.927	0	30	BDAC	
CC(C)OC(=O)N1CCC[C@H]1C(=O)O	44238904	BPXYDXRQHFUKQG-ZETCQYMHSA-N	201.222	1.080	0	30	BDAC	
O=C1NCCCn2cc(Br)cc21	96033048	YNMQXAHMVNPYRX-UHFFFAOYSA-N	229.077	1.384	0	30	BDAC	in-vitro
Oc1c2c(nn1-c1ccc(F)cc1)COCC2	258032985	NYKWUGCKJXXTDG-UHFFFAOYSA-N	234.230	1.790	0	30	BDAC	
COC(=O)c1cc2nc(OC)ccc2[nH]1	977851	SHVFIZNVOPHROP-UHFFFAOYSA-N	206.201	1.358	0	30	BDAC	
COC(=O)CCc1ccc(C(C)=O)cc1	1641369	JSMIOKNEVAVMBO-UHFFFAOYSA-N	206.241	1.995	0	30	BDAC	
CNCCCn1c(=O)c(C)nc2ccccc21	52099242	JWSJCOVNTDVIKY-UHFFFAOYSA-N	231.299	1.314	0	30	BDAC	
c1ccc(OCCNC2CCOCC2)cc1	42894899	IFLILLCCENHNNQ-UHFFFAOYSA-N	221.300	1.834	0	30	BDAC	
COc1cc(Br)ncc1C(=O)O	83330285	ZBVNYZOZHADYHH-UHFFFAOYSA-N	232.033	1.551	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2[C@H](C(=O)O)[C@H]21	669378727	OAWYKFJBXIBPCC-KDXUFGMBSA-N	241.287	1.620	0	30	BDAC	
C[C@@H]1O[C@@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@@H]12	104841625	FBWQLTARTKWGMT-GENCIFFESA-N	244.287	1.403	0	30	BDAC	
N=C1NC(=O)c2cc(Br)ccc21	34146449	CSJNILYQRBSKAB-UHFFFAOYSA-N	225.045	1.518	0	30	BDAC	
O=C(O)c1cc2c(nc1O)CCSC2	43404580	BDKBUFYKGQEDCD-UHFFFAOYSA-N	211.242	1.275	0	30	BDAC	
NS(=O)(=O)c1ccc(C(F)F)cc1	224754908	OMYULOMLWGHKTE-UHFFFAOYSA-N	207.201	1.272	0	30	BDAC	
C[C@@H](N)[C@H](O)Cc1cccc(Br)c1	96985928	SEWGHWTYHOOGIV-GMSGAONNSA-N	244.132	1.700	0	30	BDAC	
NNc1ccc(F)c(Br)c1	44564144	LPSNEPHBCCLEDZ-UHFFFAOYSA-N	205.030	1.874	0	30	BDAC	
CCCSc1ccccc1S(N)(=O)=O	33606885	YUELPEBMYBAWNG-UHFFFAOYSA-N	231.342	1.836	0	30	BDAC	
O=C(OCc1ccccc1)N1CC[C@H]2NC[C@H]21	585163887	NKNKCQYVKIXJES-VXGBXAGGSA-N	232.283	1.369	0	30	BDAC	
O=CN(Cc1ccccc1)c1cnoc1	22000941	PHUHTQKJDCPKIL-UHFFFAOYSA-N	202.213	1.838	0	30	BDAC	
CC(=O)c1ccc2c(ccc(=O)n2C)c1	1628627	IZFCZFXYGUZTEU-UHFFFAOYSA-N	201.225	1.741	0	30	BDAC	
FC(F)(F)c1cnccc1N1CCNCC1	35962856	KZDHZTBRNIUFSI-UHFFFAOYSA-N	231.221	1.510	0	30	BDAC	
O=C(NC(=O)c1ccccc1Cl)NC1CC1	166847	AQCVUIYDQIIYQG-UHFFFAOYSA-N	238.674	1.942	0	30	BDAC	
Clc1cccc(CN2C[C@H]3C[C@H]2CN3)c1	255979484	IRHUANWOGPQCIS-NEPJUHHUSA-N	222.719	1.886	0	30	BDAC	
CCOC(=O)C(=O)/C=C/c1cccs1	32099166	MBAWAUOADDFEJE-AATRIKPKSA-N	210.254	1.894	0	30	BDAC	
O=C(N1CCC(F)(F)CC1)C(F)(F)F	39055721	SYVLUZZLJFWFFW-UHFFFAOYSA-N	217.137	1.806	0	30	BDAC	
COc1ccc(CN2CC[C@H]2CN)cc1	521398987	IGATUJRVDKEGIF-NSHDSACASA-N	206.289	1.228	0	30	BDAC	in-vitro
CON[C@@H]1CCN(C(=O)OC(C)(C)C)C1	134236887	QSFXVEHGKJZZNG-MRVPVSSYSA-N	216.281	1.147	0	30	BDAC	
CCOC(=O)[C@H](N)Cc1ccc(CC)cn1	95921893	OYRIIZURMIGLQG-LLVKDONJSA-N	222.288	1.077	0	30	BDAC	
Ic1cnn2c1NCCC2	390822211	VBPMBLKWANECPJ-UHFFFAOYSA-N	249.055	1.303	0	30	BDAC	
N=C(Cc1cccc(Br)c1)NN	58563398	SWSLSHJHNRXEHH-UHFFFAOYSA-N	228.093	1.432	0	30	BDAC	in-vitro
N[C@H](c1cccc(C(=O)O)c1)C(F)(F)F	72194804	GTGDSILNVYAYQQ-SSDOTTSWSA-N	219.162	1.947	0	30	BDAC	
OC[C@@H]1NCCc2ccc(Br)cc21	83705904	GMGDYNCOIUJSST-JTQLQIEISA-N	242.116	1.628	0	30	BDAC	
Nc1cc2ccc(Br)cn2n1	84312703	VQBAEMFAHLKKFP-UHFFFAOYSA-N	212.050	1.679	0	30	BDAC	in-vitro
C[C@@H](CSC(N)=S)SC(N)=S	140236020	QSZOMCLHJKGKED-VKHMYHEASA-N	226.417	1.329	0	30	BDAC	
COC(=O)[C@H](C)OC(=O)c1ccccc1	36518887	VKVAQLXICZIQHR-QMMMGPOBSA-N	208.213	1.405	0	30	BDAC	
CCc1ccccc1-n1cc(C(=O)O)nn1	20216552	WFDDBKWGQXYHMO-UHFFFAOYSA-N	217.228	1.528	0	30	BDAC	
O=C(O)C[C@H]1C(=O)Nc2c(F)cccc21	105381253	KENIHQJWLICTGU-ZCFIWIBFSA-N	209.176	1.336	0	30	BDAC	
CCOC(=O)C(F)(F)c1ccnn1C	69021236	JRFXEYLSJAWNBT-UHFFFAOYSA-N	204.176	1.075	0	30	BDAC	
O=C(O)[C@H](Br)C[C@H]1CCCO1	223549408	IKKGARIRKHKGSL-PHDIDXHHSA-N	223.066	1.404	0	30	BDAC	
C[C@@H]1C(=O)O[C@H]2C[C@@H](C)C(CCO)=CC[C@@H]21	257485455	MOXJTUNOIGNZKZ-DMWPJOQESA-N	224.300	1.903	0	30	BDAC	endogenous,in-man
OC[C@H]1NCCc2ccc(Br)cc21	83705905	GMGDYNCOIUJSST-SNVBAGLBSA-N	242.116	1.628	0	30	BDAC	
CC(=O)O[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1	214196742	SJPDVIOPSKNAJB-ZJUUUORDSA-N	243.303	1.995	0	30	BDAC	
CC(C)(C)OC(=O)C12CC(C(=O)O)(C1)[C@@H]2F	2265384507	MUOBKNKKUSHNCH-HBXUVWQQSA-N	230.235	1.531	0	30	BDAC	
c1n[nH]c([C@H]2CCCNC2)c1CN1CCCC1	216709883	GRKOVEMOVFUWIV-NSHDSACASA-N	234.347	1.473	0	30	BDAC	
N[C@@H](CCC(=O)O)C(=O)c1c[nH]c2ccccc12	16698039	WXPJMCPZYFQWGL-JTQLQIEISA-N	246.266	1.543	0	30	BDAC	
Cc1nn(-c2cccc(C(=O)O)c2)c(C)c1N	19094079	PJFLKWSUDICIDO-UHFFFAOYSA-N	231.255	1.770	0	30	BDAC	
OCc1ccc(N2CCN(C3CC3)CC2)cc1	42490695	VTVKFBKHUWPXKB-UHFFFAOYSA-N	232.327	1.463	0	30	BDAC	in-vitro
Clc1nc(N2CCOCC2)c2occc2n1	72338624	RXUMUQZCQPUOSM-UHFFFAOYSA-N	239.662	1.713	0	30	BDAC	
c1ccc(CCn2cnc3c2CCNC3)cc1	85567124	AKJQTSQTLMSEHF-UHFFFAOYSA-N	227.311	1.772	0	30	BDAC	in-vitro
CS(=O)(=O)c1ccc(N)c2ncccc12	35340459	WXGOMUNCDGDSAN-UHFFFAOYSA-N	222.269	1.221	0	30	BDAC	in-vitro
CC[C@@H](C)[C@@H](NC)[C@H](CC(=O)O)OC	379569589	GHCBYDBRCQYPPL-KHQFGBGNSA-N	203.282	1.110	0	30	BDAC	
O=C(O)C1(c2ncccc2F)CCOCC1	380833643	QOMHHCXWYAXLCD-UHFFFAOYSA-N	225.219	1.354	0	30	BDAC	
CCOC(=O)Cc1nc2ncccc2[nH]1	34109305	MBJLVQKGFDSQGA-UHFFFAOYSA-N	205.217	1.064	0	30	BDAC	
c1ccc([C@H](c2ccccn2)c2nnn[nH]2)cc1	95238743	FIPKXPJXJKWAQI-GFCCVEGCSA-N	237.266	1.775	0	30	BDAC	
CCc1ccc(NC(=O)CC(=N)NO)cc1	16161684	SGIBIPQSBBOKGV-UHFFFAOYSA-N	221.260	1.534	0	30	BDAC	
CC(=O)Nc1ccc(C[S@@](C)=O)cc1	306536454	KTVAVZLZFWRQEV-CQSZACIVSA-N	211.286	1.524	0	30	BDAC	
N[C@@H]1CCOC[C@@H]1OCc1ccccc1	38136695	VFZHBGRHGFTYGZ-NEPJUHHUSA-N	207.273	1.319	0	30	BDAC	
CC[C@H](N)C(=O)Nc1ccnn1C(C)C	84199708	YEFRWTYWVRIHPN-QMMMGPOBSA-N	210.281	1.140	0	30	BDAC	
CCONC1CN(C(=O)OC(C)(C)C)C1	134253234	DVJWDGFZUAHTKV-UHFFFAOYSA-N	216.281	1.147	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H](CN)C(F)(F)F	143036942	DLNPCORHTMWBMT-RXMQYKEDSA-N	228.214	1.401	0	30	BDAC	
COC(=O)Cc1noc2cc(OC)ccc12	95752010	RATLYQCPYGHOAZ-UHFFFAOYSA-N	221.212	1.552	0	30	BDAC	
Cc1nc(CN2CCC(CN)CC2)oc1C	44513339	SUJAAXWRRAOFGE-UHFFFAOYSA-N	223.320	1.462	0	30	BDAC	in-vitro
Cc1cncc(I)n1	34742043	HASSSRGYJWLCGK-UHFFFAOYSA-N	220.013	1.390	0	30	BDAC	
NC(=O)N1CCOC[C@@H]1Cc1ccccc1	426187440	QGTRPFNNGHSASX-NSHDSACASA-N	220.272	1.009	0	30	BDAC	
CC(=O)N1CCN=C1Nc1cccc2c1CCC2	33605534	WGCQZEQXKNFPJL-UHFFFAOYSA-N	243.310	1.805	0	30	BDAC	
CCOC(=O)[C@@H]1Cc2ccc(OC)cc2C1=O	34581643	YBHPNCXDWWQQSG-LLVKDONJSA-N	234.251	1.613	0	30	BDAC	
CCOC(=O)[C@H](F)SC(=S)OCC	34633018	BORPAFBPTFAEQP-RXMQYKEDSA-N	226.294	1.900	0	30	BDAC	in-vitro
O=C(O)[C@@H]1CC[C@H](Cc2ccccc2)O1	62720966	GGPMLBMXKHHJCA-MNOVXSKESA-N	206.241	1.861	0	30	BDAC	
COc1ccc(CN2CCC[C@@H](O)C2=O)cc1	91365490	XHZFHAGIQPYPAM-GFCCVEGCSA-N	235.283	1.179	0	30	BDAC	
O=C(O)[C@H]1[C@H]2CCC[C@@H](CC2)[C@H]1C(=O)O	100243194	PXKSVNOELLJRND-XSPKLOCKSA-N	212.245	1.598	0	30	BDAC	
CC[C@@H](CO)NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	102934232	YQMXYJDDIUYATG-NAKRPEOUSA-N	242.388	1.410	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CC(=O)O	259143532	GQURQUMDZJQTFH-SFYZADRCSA-N	229.276	1.622	0	30	BDAC	
Cc1ncnc(C(=O)O)c1Br	95829936	QQRJUUXEDOXYTB-UHFFFAOYSA-N	217.022	1.246	0	30	BDAC	
CC1(C)CN[C@H](CNC(=O)OC(C)(C)C)C1	694121628	IHHDRBXQECMVER-VIFPVBQESA-N	228.336	1.899	0	30	BDAC	
O=C1CCNN1c1ccc(Br)cc1	77387045	XDEWYBMUFSUFQR-UHFFFAOYSA-N	241.088	1.690	0	30	BDAC	
O=C(O)c1cccc(C(=O)NCC2CC2)c1	35347434	FMYSSWLPZSLQKN-UHFFFAOYSA-N	219.240	1.525	0	30	BDAC	
Nc1ncc(Br)c(OC2CCC2)n1	87843001	PKXMFINXNZEFRX-UHFFFAOYSA-N	244.092	1.753	0	30	BDAC	
FC(F)(F)c1c[nH]c(C2CCNCC2)n1	90225646	QNWIPNUWIWGOKW-UHFFFAOYSA-N	219.210	1.896	0	30	BDAC	
CCOC(=O)[C@]12CCCC[C@@H]1NCCC2	238288950	FNMOWINSTLPBJR-JQWIXIFHSA-N	211.305	1.862	0	30	BDAC	
C[C@@H](O)CCOC(=O)c1ccccc1O	33607824	GOWRHHXEUNPVIC-MRVPVSSYSA-N	210.229	1.320	0	30	BDAC	
Nn1c(-c2ccco2)nnc1-c1ccco1	33824573	PHTBIIMLGLUUFZ-UHFFFAOYSA-N	216.200	1.512	0	30	BDAC	
CCOC(=O)[C@@H](F)CC(OCC)OCC	74942152	XKUOYWPHDDHSKU-QMMMGPOBSA-N	222.256	1.677	0	30	BDAC	in-vitro
COc1cc(Cl)ccc1C1(O)CCNCC1	380872884	LFMGUFDEPLODBL-UHFFFAOYSA-N	241.718	1.920	0	30	BDAC	
O=C(O)C1(S(=O)(=O)c2ccccc2)CCC1	3097819	JMPVAFZBRIDHEA-UHFFFAOYSA-N	240.280	1.468	0	30	BDAC	
O=C1N[C@@H]2SC(COc3ccccc3)=N[C@H]12	5774632	AOJBXSXDOLCYGD-MWLCHTKSSA-N	234.280	1.035	0	30	BDAC	
Nc1nc(C(F)(F)F)nc(Cl)c1N	1686744	ZJMHKSNURAZUDJ-UHFFFAOYSA-N	212.562	1.313	0	30	BDAC	
O=C1CCC(=O)N1OCc1ccccc1	117558777	RLPLTQCUALRWBO-UHFFFAOYSA-N	205.213	1.267	0	30	BDAC	
Clc1cc(OC2CCOCC2)ncn1	40992919	JBBCTAXBMXZBPK-UHFFFAOYSA-N	214.652	1.688	0	30	BDAC	
COC(=O)[C@](C)(O)Cc1ccccc1OC	50974755	DFQVDOTYMOEVQM-GFCCVEGCSA-N	224.256	1.162	0	30	BDAC	
CC(C)(N)c1ncc(Br)cn1	70948579	UIRDIGDIBQIMQP-UHFFFAOYSA-N	216.082	1.433	0	30	BDAC	
CC[C@H]1OC(=O)[C@H](Cc2ccccc2)O1	39101085	VTSBVBHHINNHCA-WDEREUQCSA-N	206.241	1.907	0	30	BDAC	
CCC(=O)OCC(C)(C)COC(=O)CC	5459221	XVNRPMYATPUZQL-UHFFFAOYSA-N	216.277	1.919	0	30	BDAC	
CC(=O)N[C@@](C)(C(=O)O)c1cccs1	5480973	SHRLZICKJQOCES-SECBINFHSA-N	213.258	1.184	0	30	BDAC	
CCN(CC)C(=O)CCC1CCNCC1	50931176	RPFOVMSNIMZIAY-UHFFFAOYSA-N	212.337	1.635	0	30	BDAC	in-vitro
CC1(C)Oc2ccc(C[C@@H](N)C(=O)O)cc2O1	143113692	PFPPGLZXDDFWGF-MRVPVSSYSA-N	237.255	1.148	0	30	BDAC	
CCOC(=O)CCc1c[nH]c(C(=O)O)c1C	12367618	IZVFAGPHWLOBHJ-UHFFFAOYSA-N	225.244	1.517	0	30	BDAC	
CN1CCO[C@@H](C(=O)c2ccc(Cl)cc2)C1	85792647	WIQPYWIDGDWGHU-LLVKDONJSA-N	239.702	1.853	0	30	BDAC	in-vitro
FC(F)(F)c1ccc(C2CNC2)cn1	238588060	WTPQRZMOJZKHOP-UHFFFAOYSA-N	202.179	1.787	0	30	BDAC	
Clc1ccc([C@H]2NC=CC3=C2NCN3)cc1	299803487	TXYCDGXVCLYBQV-LLVKDONJSA-N	233.702	1.860	0	30	BDAC	
COc1ccc([C@H](O)C2CCNCC2)cc1F	35424741	VTLKLYVZZNMNIF-CYBMUJFWSA-N	239.290	1.867	0	30	BDAC	
COC(=N)c1ccc(Br)cn1	130027992	HLVNIAKZDKVUNG-UHFFFAOYSA-N	215.050	1.816	0	30	BDAC	
COP(=O)(CC(=O)C(F)(F)F)OC	201708519	CIYLYRKRFOLKCO-UHFFFAOYSA-N	220.083	1.604	0	30	BDAC	
Cc1ccc(C)c(C(=O)NCC(=O)O)c1	2509468	XTIFMRXTPUYERV-UHFFFAOYSA-N	207.229	1.118	0	30	BDAC	
COC(=O)[C@@H](C)c1ccc2c(c1)OCO2	21993531	ZUFFHFHJHSEHJI-ZETCQYMHSA-N	208.213	1.692	0	30	BDAC	
CCOC(=O)c1c(COC)nc2sccn12	21986657	UVPXVKIMZNQUAD-UHFFFAOYSA-N	240.284	1.719	0	30	BDAC	
CN(C(=O)OC(C)(C)C)C1(CO)CCC1	867342522	WMBASUZHAAMRMT-UHFFFAOYSA-N	215.293	1.768	0	30	BDAC	
Clc1nccc(N[C@@H]2CCCOC2)n1	71024598	SMEWBGPILUISCA-SSDOTTSWSA-N	213.668	1.721	0	30	BDAC	in-vitro
CCCCN(CCCC)C(=O)[C@@H]1CCC(=O)N1	5821178	NDGMGZDZOXTYQZ-NSHDSACASA-N	240.347	1.694	0	30	BDAC	
O=C1CNCCN1c1cccc2cnccc12	80970999	MHQJOHGGOPRLLX-UHFFFAOYSA-N	227.267	1.171	0	30	BDAC	
O=Cc1ccc(Br)c2c1OCO2	257989845	CMEJOGAFMIWLDS-UHFFFAOYSA-N	229.029	1.990	0	30	BDAC	
Cn1c(N)nc2ncc(Br)cc21	145058326	UIGQFOXIYBGMHG-UHFFFAOYSA-N	227.065	1.313	0	30	BDAC	
CCOC(=O)c1cn2cc(C)cnc2n1	232308706	LEZGNKWKMUPAAO-UHFFFAOYSA-N	205.217	1.214	0	30	BDAC	
Cc1cc(C)cc(N(C[C@@H](C)O)C[C@@H](C)O)c1	5159947	PARPOEDUBHSEJZ-CHWSQXEVSA-N	237.343	1.871	0	30	BDAC	
CN[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	95347654	WZYNYEJNHUTUMN-OCCSQVGLSA-N	234.343	1.495	0	30	BDAC	in-vitro
CC(C)C[C@@H]1C[C@](C)(C(=O)O)OC1=O	238159500	JXXZNVBUQDPAPM-GMSGAONNSA-N	200.234	1.439	0	30	BDAC	
CCOC(=O)c1cc(Cl)c(C=O)cn1	238256443	OFHVXSYYBITSDZ-UHFFFAOYSA-N	213.620	1.724	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(N)(c2ccccn2)C1	691305114	KUYBSRCEBUTZKY-UHFFFAOYSA-N	249.314	1.486	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H](CCN)C(F)(F)F	211412498	LVUKWVZZNMFBTD-LURJTMIESA-N	242.241	1.791	0	30	BDAC	
O=C(O)[C@H]1CCCn2c(Br)cnc21	211421285	KUMNIJJSOWWJHW-YFKPBYRVSA-N	245.076	1.608	0	30	BDAC	
CNC[C@@H](O)c1cc(O)ccc1Cl	106880015	GNOJWXXZHRSIPN-SECBINFHSA-N	201.653	1.298	0	30	BDAC	
COC(=O)[C@H](C)c1nnnn1-c1ccccc1C	260881378	VJCQUJJTZOBKSJ-SECBINFHSA-N	246.270	1.247	0	30	BDAC	
O=C1N[C@H]2SC(COc3ccccc3)=N[C@H]12	5774633	AOJBXSXDOLCYGD-KOLCDFICSA-N	234.280	1.035	0	30	BDAC	
Cc1nc(S(=O)(=O)Cl)c(Cl)n1C	230506428	LIFMJBDANATILD-UHFFFAOYSA-N	229.088	1.309	0	30	BDAC	
Nc1c(Br)ccnc1C(=O)O	95769104	VHPASGGVCMLZDG-UHFFFAOYSA-N	217.022	1.125	0	30	BDAC	
COC(=O)[C@@H]1Cc2cccc(F)c2C(=O)O1	642885033	QDDRRJWNZOOHOL-QMMMGPOBSA-N	224.187	1.080	0	30	BDAC	
O=C(O)c1nccn2c(Br)ccc12	211231262	QSJDBUQBBMMXCA-UHFFFAOYSA-N	241.044	1.795	0	30	BDAC	
C[C@@H]1O[C@]2(C)O[C@H]1[C@@]1(C)O[C@H]2[C@@H](C)O1	215696921	YGJPESKBKFTJGW-SWKORFGHSA-N	200.234	1.040	0	30	BDAC	
Brc1ccnc(N2CCCC2)n1	44116809	XINLHXGETKGJNE-UHFFFAOYSA-N	228.093	1.839	0	30	BDAC	
Cc1ccccc1[C@@]12CO[C@@H](C1)[C@@H]2C(=O)O	757543043	LHBNCNUFQRESLR-LOWVWBTDSA-N	218.252	1.736	0	30	BDAC	
Cc1cccc2nnc(Br)n12	107391873	CSFDZNMYPPKIMH-UHFFFAOYSA-N	212.050	1.800	0	30	BDAC	
NC(=O)c1ccc2[nH]cc(C3CCNCC3)c2c1	13806200	DRVXDHFVKADYKC-UHFFFAOYSA-N	243.310	1.734	0	30	BDAC	
C[C@@H](O)CNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	102934224	XKFOGPZJONXOKW-KATARQTJSA-N	228.361	1.020	0	30	BDAC	
Nc1snc2ccc(S(=O)(=O)O)cc12	6094185	AOVDONCOLZOGQB-UHFFFAOYSA-N	230.270	1.125	0	30	BDAC	
CC(C)(C)[C@]12CNCC[C@H]1CN2C(=O)O	114318861	GRDKYARCMDIHSO-KWQFWETISA-N	212.293	1.374	0	30	BDAC	
O=C(Nc1cccnc1)[C@H]1CCCNC1	19410759	MASFFKHXAWQTKO-VIFPVBQESA-N	205.261	1.020	0	30	BDAC	
CCN1CC[C@@]2(C1)C(=O)Nc1ccccc12	33824254	BJKDWGHYHWIQIM-ZDUSSCGKSA-N	216.284	1.602	0	30	BDAC	
NC(=O)c1cnc(-c2ccc(F)cc2)nc1	35323377	WJDBRSWBMROFRT-UHFFFAOYSA-N	217.203	1.382	0	30	BDAC	
NC[C@@H]1CCCN1c1ccc(Cl)nn1	82642076	GUDIXBXVEAYPCF-ZETCQYMHSA-N	212.684	1.058	0	30	BDAC	
Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CN	238855262	RBLSMTXIXHUSJY-UWVGGRQHSA-N	227.283	1.163	0	30	BDAC	
CCOC(=O)C(=O)CC(=O)c1ccccc1O	100179540	PSFPQJSCHOSMAE-UHFFFAOYSA-N	236.223	1.097	0	30	BDAC	
COC(=O)/C(Cl)=N\Nc1ccc(C#N)cc1	100089218	NNPAOUBUXHCNGL-NTEUORMPSA-N	237.646	1.695	0	30	BDAC	
C[C@H](O)c1ccncc1Br	114582844	UBVWTMPHSNWFEA-YFKPBYRVSA-N	202.051	1.897	0	30	BDAC	
O=C(Nc1ccccc1F)N[C@@H]1CCNC1	36288039	VNWFRNRQQJMFQJ-MRVPVSSYSA-N	223.251	1.309	0	30	BDAC	
C[C@H](CNC(=O)c1ccccc1)C(N)=S	54153697	FGUSZLUIPDHTSM-MRVPVSSYSA-N	222.313	1.339	0	30	BDAC	in-vitro
COc1ccc([C@@H]2[C@@H](CO)CCC(=O)N2C)cc1	68575669	MKOORXKZEHGBSM-BXUZGUMPSA-N	249.310	1.597	0	30	BDAC	in-vitro
COc1cc(C)c(C(C)=O)c(O)c1OC	34600009	CLBDCDJWWOVREB-UHFFFAOYSA-N	210.229	1.920	0	30	BDAC	
COC(=O)CCC1(CCC(=O)OC)CC1	521399045	IFMPCMDGYHGFER-UHFFFAOYSA-N	214.261	1.673	0	30	BDAC	
Cc1[nH]c(C=O)c(C(F)(F)F)c1C(=O)O	45821288	SMNKHSZKLLUFAY-UHFFFAOYSA-N	221.134	1.853	0	30	BDAC	
Cc1c(Br)nc(C(=O)O)n1C	82326892	JSMOUXQEBSLYHG-UHFFFAOYSA-N	219.038	1.189	0	30	BDAC	
N[C@@H]([C@H](N)Cc1ccccc1)C(F)(F)F	47845222	QVVAVUSJVMSJQJ-BDAKNGLRSA-N	218.222	1.446	0	30	BDAC	in-vitro
COC1(C(=O)O)CCC(C(F)F)CC1	390822022	JVUGVYQCTHQISB-UHFFFAOYSA-N	208.204	1.912	0	30	BDAC	
NCc1cnc2ccc(Br)cn12	19767718	FDFWNZVPMCPDRM-UHFFFAOYSA-N	226.077	1.556	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@]2(N)CCC[C@H]12	238107850	TUBKTTUXJKGATN-CABZTGNLSA-N	226.320	1.877	0	30	BDAC	in-vitro
O=C1Nc2ccccc2C(=O)[C@]1(F)Cl	68335	MMJJDKQFBVGICO-SECBINFHSA-N	213.595	1.726	0	30	BDAC	
Cc1c(Cl)cc(Cl)cc1S(N)(=O)=O	306918432	ZYFFTWQEPMTHQR-UHFFFAOYSA-N	240.111	1.949	0	30	BDAC	
Cn1ccnc1[C@]1(C(F)(F)F)CCO1	1536221436	HUIPMMNIHDZYOW-ZETCQYMHSA-N	206.167	1.598	0	30	BDAC	
CC(=O)Nc1ccc2ccc(C=O)nc2n1	39123985	YYGLECSWZGIBON-UHFFFAOYSA-N	215.212	1.401	0	30	BDAC	
O=C1CCC(=O)OC[C@@H]2CCCC[C@@H]2CO1	38647355	WUYDLFIACLRMNK-AOOOYVTPSA-N	226.272	1.673	0	30	BDAC	
Cc1ccc2c(N)c(C(=O)O)nnc2c1	33893237	AWEVCTWWLDHGDG-UHFFFAOYSA-N	203.201	1.219	0	30	BDAC	
NC[C@@H](O)c1ccc(F)cc1C(F)(F)F	133557118	FZRNYBQHLHVVQI-MRVPVSSYSA-N	223.169	1.837	0	30	BDAC	
CSC1=N[C@H](C)N2C(SC)=N[C@H](C)N12	138046	USCZLURPZSEAII-WDSKDSINSA-N	230.362	1.663	0	30	BDAC	
Oc1ccc2c(c1)[C@@H]1OCCN[C@H]1CC2	2528507	RCTXZLWJOZFFFZ-RYUDHWBXSA-N	205.257	1.368	0	30	BDAC	in-vitro
Cc1ccc(C2(C(=O)O)CCNCC2)cc1	41232476	GWBSAIUOXVSNCO-UHFFFAOYSA-N	219.284	1.701	0	30	BDAC	
Cc1ccc(CN2CC[C@H](N)C2=O)cc1	49647713	UMSFRZDUTOFNMX-NSHDSACASA-N	204.273	1.055	0	30	BDAC	in-vitro
COc1c(C)cc(CO)c(C=O)c1C(=O)O	15217476	KINUBXBOAZOHHO-UHFFFAOYSA-N	224.212	1.007	0	30	BDAC	
CCCCCCN1C[C@H](C(=O)OC)CC1=O	33866046	GJHNTLQYACBIND-SNVBAGLBSA-N	227.304	1.588	0	30	BDAC	
CNc1oc(C(=O)N(C)C)cc1Cl	39126842	QTHJZQFELOMQCL-UHFFFAOYSA-N	202.641	1.677	0	30	BDAC	
CCc1nccnc1-c1ccnc(N)n1	95935423	YDDJUWLWIRIXBK-UHFFFAOYSA-N	201.233	1.078	0	30	BDAC	
N[C@@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1	685944680	NYGXCMYDQWYVCJ-UJURSFKZSA-N	205.183	1.329	0	30	BDAC	
NC(=O)c1cc(Br)cc2c1OCC2	169157	JHHRFZWCOAWUOB-UHFFFAOYSA-N	242.072	1.483	0	30	BDAC	
CCSC(=O)CNC(=O)OC(C)(C)C	39094101	BGCUGFOSCBHPPY-UHFFFAOYSA-N	219.306	1.791	0	30	BDAC	
COC(=O)C(C)(C)C(=O)[C@H](C)Br	141750845	HYCVVIHRSINHDF-YFKPBYRVSA-N	237.093	1.538	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2CO	261508371	RTLCPCOGXPWAQH-JGPRNRPPSA-N	241.331	1.872	0	30	BDAC	
CC1(C)CCN(C(=O)OC(C)(C)C)CCN1	216358223	WGLNQXVSRLAUNX-UHFFFAOYSA-N	228.336	1.995	0	30	BDAC	in-vitro
NS(=O)(=O)c1ccc2ccccc2c1F	299805399	MLVVJKBUPUAEGS-UHFFFAOYSA-N	225.244	1.626	0	30	BDAC	
Nc1noc2ncc(Br)cc12	95830806	FCOPBLPMMCTEQE-UHFFFAOYSA-N	214.022	1.568	0	30	BDAC	in-vitro
NCc1csc(-c2ccc3c(c2)OCO3)n1	40999791	YCINRROQYDVPPX-UHFFFAOYSA-N	234.280	1.998	0	30	BDAC	
CC(C)OC(=O)Cc1csc(CN)n1	88613726	QNEDAKYVIOHXCX-UHFFFAOYSA-N	214.290	1.096	0	30	BDAC	
Cc1ccc(C(C)C)cc1NS(N)(=O)=O	39121749	PPTUAHLABOVWDY-UHFFFAOYSA-N	228.317	1.734	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CNC2(CCC2)C1	1536221874	NBIHLULPPBFQIU-VIFPVBQESA-N	226.320	1.796	0	30	BDAC	
NC(=O)C1CCN(c2ccnc3[nH]ccc23)CC1	34997062	LNQKTCLJYAMRPZ-UHFFFAOYSA-N	244.298	1.265	0	30	BDAC	
N=C1SCCN1[C@@H](CO)c1ccccc1	38611734	VWBZXUVULAKRBT-JTQLQIEISA-N	222.313	1.704	0	30	BDAC	
COC(=O)[C@H]1SC2(CCCC2)SCC1=O	15042597	QBDXXAWKZUADEK-QMMMGPOBSA-N	246.353	1.847	0	30	BDAC	
O=C(O)C(F)(F)c1ccc(Cl)nc1	220049208	GUCQWXJYYAHXSP-UHFFFAOYSA-N	207.563	1.911	0	30	BDAC	
Brc1nnn2c1CCCC2	214334847	VCYBJKWLKBRWKO-UHFFFAOYSA-N	202.055	1.377	0	30	BDAC	
O=C(Nc1ccccc1)N[C@@H]1CCCCNC1=O	141611	UAHKLTCJHGNNFB-LLVKDONJSA-N	247.298	1.477	0	30	BDAC	
OCc1ccc(OCCn2ccnc2)cc1	20254321	GDNYXDJGFLTMJN-UHFFFAOYSA-N	218.256	1.454	0	30	BDAC	
COC(=O)[C@@H]1CN=C(OC)CC12CCC2	1535640542	OQTGUCZHZHVWJU-QMMMGPOBSA-N	211.261	1.395	0	30	BDAC	
CCOC(=O)[C@H](N)c1ccc(OC)c(F)c1	76134557	IJNXURUYPARBDD-SNVBAGLBSA-N	227.235	1.397	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CN2CC[C@@H]1C2	39093655	NIZTZRCJEKIRON-RKDXNWHRSA-N	212.293	1.215	0	30	BDAC	
N=C(NO)[C@H]1CCC(=O)N(CC2CCCC2)C1	1535202629	QMYYMDQKWHOHOF-JTQLQIEISA-N	239.319	1.371	0	30	BDAC	
CN[C@H](c1ccc(F)cc1)c1ncccn1	37469165	WSLPYTVJBVFRMG-LLVKDONJSA-N	217.247	1.925	0	30	BDAC	in-vitro
C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1	75824223	LXBCVBNECBVUQF-VIFPVBQESA-N	228.336	1.994	0	30	BDAC	
CN[C@@H](C(=O)OC)c1cccc(OC)c1	37458454	MZEKGBZMHREMKD-SNVBAGLBSA-N	209.245	1.129	0	30	BDAC	
O=C1NCNC1(c1ccccc1)c1ccccc1	26660333	FEJIIZAOQRTGPC-UHFFFAOYSA-N	238.290	1.607	0	30	BDAC	in-man
COC(=O)c1cccc(Cl)c1C(=O)OC	1691202	KOKARLQQVBKCKH-UHFFFAOYSA-N	228.631	1.913	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@]2(N)C[C@H]2C1	757175252	KVKXZCMOLBVQBH-CABZTGNLSA-N	226.320	1.735	0	30	BDAC	
O=c1cc2c(n[nH]1)-c1ccc(F)cc1C2	33884586	SDCGBVFVEGVVSD-UHFFFAOYSA-N	202.188	1.480	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CNC2	199553504	SRIHMDKPBXOVAD-JOYOIKCWSA-N	226.320	1.511	0	30	BDAC	
NC(=O)[C@@H]1CCCN1c1cccc(O)c1Cl	207711950	KIPCCPPEANNVON-QMMMGPOBSA-N	240.690	1.500	0	30	BDAC	
CC(C)N1CCC(NC[C@H]2CCCO2)CC1	19963412	YVMJJSXZMOPFPI-CYBMUJFWSA-N	226.364	1.628	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]1C(N)=S	2546133	VMRYFJDXRAKKOA-LURJTMIESA-N	216.306	1.282	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@]21CN	725343494	RXLDDHKJEYNJNF-CABZTGNLSA-N	226.320	1.735	0	30	BDAC	
COc1ccc([C@H](O)C2OCCO2)cc1	21990535	QPBOYTUGFSEWGJ-JTQLQIEISA-N	210.229	1.102	0	30	BDAC	
COC(CC[C@@H](C)C(OC)OC)OC	33605643	JBEZZHPFGNHYEV-MRVPVSSYSA-N	206.282	1.641	0	30	BDAC	
COCCC1(C(=O)O)SCCCS1	2265384940	ISQNDITWRUQXIE-UHFFFAOYSA-N	222.331	1.674	0	30	BDAC	
CN[C@H](Cc1ccc(F)cc1)c1nc[nH]n1	83746579	DPQAIBKSNKKGAZ-SNVBAGLBSA-N	220.251	1.447	0	30	BDAC	
CNC(=O)Nc1ccc(Br)cn1	125222440	SURYCHFHHUTRMF-UHFFFAOYSA-N	230.065	1.595	0	30	BDAC	
CN[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	76675797	JMDRWRUSBCUXJG-SNVBAGLBSA-N	228.336	1.995	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)[C@@H]1NC[C@H]2CCC[C@H]21	79016821	NEKNRPZRUGJBHN-OPRDCNLKSA-N	211.305	1.716	0	30	BDAC	
CC(=O)COCCNC(=O)OC(C)(C)C	238850900	DIUFKXOGSWLROZ-UHFFFAOYSA-N	217.265	1.117	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CN	258031200	IQRRHMJDTILEKX-HTQZYQBOSA-N	200.282	1.106	0	30	BDAC	
N=C(N)Nc1ccc(C(=O)Nc2ncco2)cc1	39072967	VMNOROKKBWEDLM-UHFFFAOYSA-N	245.242	1.232	0	30	BDAC	
C=CC(=O)Oc1cccc(OC(=O)C=C)c1	2568169	YLCILCNDLBSOIO-UHFFFAOYSA-N	218.208	1.869	0	30	BDAC	
CC(C)(C)OC(=O)N1CCNC[C@](C)(F)C1	220603255	INRMUIJBJHNDML-NSHDSACASA-N	232.299	1.555	0	30	BDAC	
COC(=O)[C@H]1CC(C)(C)N([O])C1(C)C	100116638	MZCJOXPCRWIKNU-SSDOTTSWSA-N	200.258	1.384	0	30	BDAC	
N[C@H]1COc2cc(F)c(Br)cc21	116924304	UDMDMXVIJMFYRG-ZETCQYMHSA-N	232.052	1.980	0	30	BDAC	
CCOC(=O)c1ccc2ncc(N)n2c1	260157597	OIDXKWHNSMYEOF-UHFFFAOYSA-N	205.217	1.093	0	30	BDAC	
Nc1cc(F)ncc1I	307098158	GLQRNWVVNMJCFO-UHFFFAOYSA-N	238.003	1.408	0	30	BDAC	
CCOC(=O)Cn1c(C)cc(C(=O)O)c1C	37472432	KGIYUGUJTXUTRB-UHFFFAOYSA-N	225.244	1.366	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CC[C@H]2C[C@@H](N)[C@H]21	585140080	LKFGPMRVNCQJHB-YIZRAAEISA-N	212.293	1.343	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)O)C1	319490896	DLQSTANETGIDCE-JGVFFNPUSA-N	214.261	1.829	0	30	BDAC	
CC(=O)CCN1CCSC(C)(C)C1	135071488	SWEVJAQTUBUEMQ-UHFFFAOYSA-N	201.335	1.793	0	30	BDAC	
Nc1ccc(N2CCOCC2)cc1Cl	82656085	GEJFFFJUVXSVCT-UHFFFAOYSA-N	212.680	1.759	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H]1CSCCN1	95883499	SUXHUKREMWJVSY-ZETCQYMHSA-N	203.307	1.033	0	30	BDAC	
CCc1ncc(Br)c(=O)[nH]1	85449396	OERSSKTYLDIFNJ-UHFFFAOYSA-N	203.039	1.095	0	30	BDAC	
C=CC(=O)NCc1ccc(-n2ccnc2)nc1	667625161	MJPKUXIHDSVKFB-UHFFFAOYSA-N	228.255	1.070	0	30	BDAC	
CCOC(=O)Cc1nc2nc(OC)ccc2[nH]1	93232648	BLROXJXPGHCWKL-UHFFFAOYSA-N	235.243	1.072	0	30	BDAC	
CNC(=O)Oc1cccc2c1O[C@H](C)C2	2039444	JTBBRGSSVACAJM-SSDOTTSWSA-N	207.229	1.728	0	30	BDAC	
O=C1CC(=O)N[C@H](c2ccc(F)cc2)C1	107148245	UKLRYNMMOHQQSJ-JTQLQIEISA-N	207.204	1.346	0	30	BDAC	
O=Cc1ccc(Cl)c(S(=O)(=O)O)c1	33506555	WASOCELOYFJJIU-UHFFFAOYSA-N	220.633	1.399	0	30	BDAC	
Nc1ccc(OCCCCC(=O)O)cc1	33639350	GYMYJYBISLNDGR-UHFFFAOYSA-N	209.245	1.903	0	30	BDAC	
CCOC(=O)[C@H]1CNC[C@@H]1c1ccccc1	143959383	QRPKWKHMIUWDBI-NEPJUHHUSA-N	219.284	1.553	0	30	BDAC	
COc1ccc(/C(=C\F)CN)cc1OC	95934849	HLNSVKSSCLHOSW-TWGQIWQCSA-N	211.236	1.973	0	30	BDAC	
C[C@H](O)CN(C[C@@H](C)O)C1CCCCC1	31318005	QMEZIAQDVYFSDQ-PHIMTYICSA-N	215.337	1.383	0	30	BDAC	
COc1ccc(C23CNCC(CO)(C2)C3)cc1	2265384648	FKSMKMVFAJXMFG-UHFFFAOYSA-N	233.311	1.309	0	30	BDAC	
FC1(F)[C@H]2CNC[C@]2(Cl)C1(F)F	584883268	PARHJRQLCVJPPY-IUYQGCFVSA-N	203.566	1.468	0	30	BDAC	
CC(C)(C)OC(=O)N1Cc2nccc(N)c2C1	700655485	XATFYBXZVRVVIJ-UHFFFAOYSA-N	235.287	1.915	0	30	BDAC	
O=C(N[C@@H]1CCC[C@@H](O)C1)c1ccccc1	34428352	BYHCFBWCQDHOMN-VXGBXAGGSA-N	219.284	1.720	0	30	BDAC	in-vitro
CCOC(=O)C[C@@]1(O)CCc2ccccc2C1	52248765	UXBMGCUIXOQESP-CQSZACIVSA-N	234.295	1.860	0	30	BDAC	
NS(=O)(=O)c1cccc2cccc(O)c12	117177143	HLLRSGMRXOBZQB-UHFFFAOYSA-N	223.253	1.193	0	30	BDAC	
CCc1oc(=NC)sc1C(=O)OC	255964099	BDOPNJFHPKZRBT-UHFFFAOYSA-N	201.247	1.221	0	30	BDAC	
COC(=O)c1cc(Br)on1	260802109	QONRHRDGVHBHBO-UHFFFAOYSA-N	205.995	1.224	0	30	BDAC	
CS(=O)(=O)c1ccc2ccccc2n1	21996791	YOOJHKWYSKGJBV-UHFFFAOYSA-N	207.254	1.638	0	30	BDAC	
CCOC(=O)[C@@H](Cc1ccsc1)NC(C)=O	141675270	AEJCKDFUNRICMC-SNVBAGLBSA-N	241.312	1.358	0	30	BDAC	
O=C(O)C(=O)Cc1ccccc1Br	19435375	LPTGSFCWLPDCIT-UHFFFAOYSA-N	243.056	1.645	0	30	BDAC	
CC(C)(O)C(C)(C)OB(O)C1CCOCC1	205902144	NOJUAFOLZBOUDU-UHFFFAOYSA-N	230.113	1.214	0	30	BDAC	
CC(C)Cn1c(=O)[nH]c2ccc(C(=O)O)cc21	211932596	LBPMNHWGWCEKQH-UHFFFAOYSA-N	234.255	1.684	0	30	BDAC	
COc1ncc(C)c(C(=O)O)c1Cl	214941222	CQLDGIIAYYCIBM-UHFFFAOYSA-N	201.609	1.750	0	30	BDAC	
CCOC(=O)c1ncn(-c2ccccc2C)c1N	44589965	UCUVGIASCOPJSC-UHFFFAOYSA-N	245.282	1.940	0	30	BDAC	in-vitro
COC(=O)[C@@H]1COc2ccc(OC)cc21	238342557	GXNJDGIYLPBLJK-SECBINFHSA-N	208.213	1.344	0	30	BDAC	
CCN(CC)S(=O)(=O)CCC1CCNCC1	36379454	UMUQSXRPZIXWKR-UHFFFAOYSA-N	248.392	1.048	0	30	BDAC	
COC(=O)C[C@@](C)(N)c1cccc(OC)c1	86851288	CQIFDPSWHVAVGQ-GFCCVEGCSA-N	223.272	1.432	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](N)[C@@H]21	82372482	VACFVWQUAZOQDH-IWSPIJDZSA-N	212.293	1.343	0	30	BDAC	
Nc1n[nH]c2c1CCN(Cc1ccccc1)C2=O	146618598	MPKXKFYKNVLFDT-UHFFFAOYSA-N	242.282	1.190	0	30	BDAC	
CCN1CCN(C(=O)OC(C)(C)C)CC1	39101760	PJXNBNQHRGADDX-UHFFFAOYSA-N	214.309	1.559	0	30	BDAC	in-vitro
O=C(CCOc1ccccc1)NC[C@H]1CCCO1	21145194	LDRSLCDZAMWSCL-CYBMUJFWSA-N	249.310	1.751	0	30	BDAC	
CC(C)c1n[nH]c2ccnc(C(=O)O)c12	1535645851	OVJSLDGGASUOLT-UHFFFAOYSA-N	205.217	1.780	0	30	BDAC	
CCC(=O)C1CN(C(=O)OC(C)(C)C)C1	82966308	WOTIHXGVSYAHNR-UHFFFAOYSA-N	213.277	1.832	0	30	BDAC	
C[C@H]1CC(O)=C2C=CS[C@H]2S1(=O)=O	144160582	UNQGZWLXWMOAKP-XNCJUZBTSA-N	218.299	1.592	0	30	BDAC	
COC(=O)[C@]1(C(F)(F)F)CCC(=O)C1	199470111	FXXIBLWQCRPSQV-ZETCQYMHSA-N	210.151	1.461	0	30	BDAC	
O=C(NC[C@H]1CNCC12CCC2)C(F)(F)F	575513523	DUVVDYZKTFGEBD-SSDOTTSWSA-N	236.237	1.055	0	30	BDAC	
CNC(=O)c1nc(C)n(-c2ccccc2)c1C	22000963	FMJJAPRHYRBZHM-UHFFFAOYSA-N	229.283	1.849	0	30	BDAC	
CC(=O)c1ccccc1N1C(=O)CSCC1=O	102009	DETXPBJUMKNYDY-UHFFFAOYSA-N	249.291	1.496	0	30	BDAC	
O=C(O)CC[C@H](Cc1ccccc1)C(=O)O	6575206	GUUZXORJVABSSF-SNVBAGLBSA-N	222.240	1.795	0	30	BDAC	
CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(CO)C1	536948269	BPQDFEAZIMHEIB-SKDRFNHKSA-N	245.319	1.393	0	30	BDAC	
O=C(O)c1cncn1-c1ccc(O)cc1	84324942	HLOGWRXJXCYGEU-UHFFFAOYSA-N	204.185	1.276	0	30	BDAC	
CCN1CCc2cc(C[C@@H](C)N)ccc21	257949843	CGGGGVZLEXJSKF-SNVBAGLBSA-N	204.317	1.959	0	30	BDAC	
CC(C)(N)c1nc(Br)no1	82379241	JFSAPPSMRRAREX-UHFFFAOYSA-N	206.043	1.026	0	30	BDAC	
O=C(N[C@@H]1CCC[C@H](O)C1)c1ccccc1	70262934	BYHCFBWCQDHOMN-NEPJUHHUSA-N	219.284	1.720	0	30	BDAC	in-vitro
Cc1ccc2oc(-c3cn(C)nn3)cc(=O)c2c1	95842505	SYIMKIJSJZYNES-UHFFFAOYSA-N	241.250	1.897	0	30	BDAC	
CCOC(=O)c1c(C)nc2cc(O)coc1-2	223720582	CTTQVSATWUWAPL-UHFFFAOYSA-N	221.212	1.970	0	30	BDAC	
OCc1ccc2c(c1)C1(CC2)OCCO1	98181456	RTQSFNJEDNZEJM-UHFFFAOYSA-N	206.241	1.325	0	30	BDAC	
COc1ccn2c(=O)cc(C(F)(F)F)nc2c1	953043923	SBGQVGLNKURVDM-UHFFFAOYSA-N	244.172	1.722	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@]2(CN)C[C@@H]12	106870675	GINXHIFJXMDZAH-BXKDBHETSA-N	226.320	1.735	0	30	BDAC	
C[C@H]1C[C@H](N)c2ccsc2S1(=O)=O	238856893	XOSMBAIDAZWPRP-FSPLSTOPSA-N	217.315	1.314	0	30	BDAC	in-vitro
O=[S@](O)c1cccnc1C(F)(F)F	675061106	APWIKDXCEUBHDX-UHFFFAOYSA-N	211.164	1.681	0	30	BDAC	
O=C(O)[C@H]1C[C@@H]1C(=O)OCc1ccccc1	196082988	PVARIGOXRLDYSP-UWVGGRQHSA-N	220.224	1.451	0	30	BDAC	
CCc1cc(O)c(S(=O)(=O)O)cc1Cl	104850860	MFTBMHRGXBBBOI-UHFFFAOYSA-N	236.676	1.855	0	30	BDAC	
O=C(O)C(=O)c1cscc1Br	306566031	FUEUKVKAPMYUAY-UHFFFAOYSA-N	235.058	1.778	0	30	BDAC	
Cc1cccc(N2CCNCC2=O)c1C	70936770	KUCICAZLPSEUTL-UHFFFAOYSA-N	204.273	1.240	0	30	BDAC	
O=C(O)Cc1csc(C[C@@H]2CCCO2)n1	36895566	RSIFXGTXQZHDJW-QMMMGPOBSA-N	227.285	1.492	0	30	BDAC	
NC(=S)COc1ccc(F)c(F)c1	36749958	QSVFJMGUDUBLDG-UHFFFAOYSA-N	203.213	1.630	0	30	BDAC	
COC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C	149680217	YZMMETUEZIENTO-SSDOTTSWSA-N	233.264	1.001	0	30	BDAC	
Cc1cccc(-c2nnc(C(N)=O)s2)c1	2265362130	OLGKKOXNAREUOM-UHFFFAOYSA-N	219.269	1.612	0	30	BDAC	
CC(C)Oc1cccc([C@H]2CC(=O)NC2=O)c1	2250665	XKCUOVLFNVLRTK-LLVKDONJSA-N	233.267	1.604	0	30	BDAC	
CC(C)(C)SCCNC(=O)[C@@H]1C[C@@H]1C(=O)O	6615410	NDKBLRFRBGWKTG-SFYZADRCSA-N	245.344	1.355	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1C(N)=S	238134899	OFGDUYOUGGQWAV-RNFRBKRXSA-N	248.323	1.620	0	30	BDAC	
Cn1cccc1C(=O)N1CCCC[C@H]1CCO	37861280	XJDZNUISZGGPPG-NSHDSACASA-N	236.315	1.402	0	30	BDAC	in-vitro
CC(=O)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12	100069001	ZWCSPNASTQNGJH-RKDXNWHRSA-N	225.288	1.688	0	30	BDAC	
COCCNCCCOc1ccccc1F	53566123	KOMNGEJGWYFHJS-UHFFFAOYSA-N	227.279	1.831	0	30	BDAC	
Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1N	52298600	YIPMPPICXHAXPP-PSASIEDQSA-N	229.287	1.812	0	30	BDAC	
Cc1cccc([C@@H]2CC(=O)[C@](C)(O)CN2C)c1	33854798	QCQQUOALWTVDRJ-GXTWGEPZSA-N	233.311	1.692	0	30	BDAC	
Cc1nnc2n1CCN(C(=O)OC(C)(C)C)C2	75838671	HZDAYDTVOXJXFL-UHFFFAOYSA-N	238.291	1.337	0	30	BDAC	
COCCc1nc(C)c([C@H](C)O)s1	44594190	GYXVNLMCQTXZJT-ZETCQYMHSA-N	201.291	1.694	0	30	BDAC	in-vitro
COc1nc2c(cc1Br)CC(=O)N2	44712747	RMWSFLXJOSRZNW-UHFFFAOYSA-N	243.060	1.347	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@](O)(CCN)C1	96985397	UETKEVCPINNJQN-GFCCVEGCSA-N	244.335	1.097	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@]2(CN)C[C@H]12	106870673	GINXHIFJXMDZAH-CABZTGNLSA-N	226.320	1.735	0	30	BDAC	
Cc1nc(Br)sc1C(N)=O	113517778	QOKPSIRLLGUHDY-UHFFFAOYSA-N	221.079	1.313	0	30	BDAC	
N[C@@H](c1ccccc1)C1(CO)CCOCC1	328579610	QYPXKTOTFOLRID-LBPRGKRZSA-N	221.300	1.476	0	30	BDAC	
COc1ncccc1C(=O)C(F)(F)F	39055353	GQPZSAWDSUJAGR-UHFFFAOYSA-N	205.135	1.835	0	30	BDAC	
C[C@H]1C[C@@H](C)CN(C[C@@H]2CCCNC2)C1	19516123	BZNDIWKLEZLXFA-FRRDWIJNSA-N	210.365	1.964	0	30	BDAC	
Oc1ccc2ncc(Br)n2c1	259041662	AQFYSZARPRVOFW-UHFFFAOYSA-N	213.034	1.802	0	30	BDAC	
CS(=O)(=O)Nc1ccc2c(c1)C(=O)CCC2	34420055	GXMOCBMKXZUCIS-UHFFFAOYSA-N	239.296	1.577	0	30	BDAC	
COc1c(F)cc(C(=O)O)c(N)c1F	71790412	QFLZYYRNYHZXDJ-UHFFFAOYSA-N	203.144	1.254	0	30	BDAC	
O=C(O)Cc1ccc2c(c1)CCC(=O)N2	71509240	TYEWITXXLBKGLA-UHFFFAOYSA-N	205.213	1.198	0	30	BDAC	
COC(=O)c1c(OC)ncc(Cl)c1C	135794611	NZVAQFVFQJGTLU-UHFFFAOYSA-N	215.636	1.839	0	30	BDAC	
COC(=O)[C@@H](N)Cc1ccc(C)cc1Cl	95640315	HVJJAGLAOGURHQ-JTQLQIEISA-N	227.691	1.691	0	30	BDAC	
O[C@]1(c2cccc(Br)c2)CCNC1	212586265	CUESKQLGGLPUKC-SNVBAGLBSA-N	242.116	1.630	0	30	BDAC	
COC(=O)[C@]12C[C@@H]1CCN2C(=O)OC(C)(C)C	214705879	XNZDPPRFOSLQEL-UFBFGSQYSA-N	241.287	1.559	0	30	BDAC	
Cc1cc(OC(=O)N(C)C)nc2c1c(C)nn2C	94682	UAGCNZUMQLKOQO-UHFFFAOYSA-N	248.286	1.646	0	30	BDAC	
CSc1nnc(-c2cc(C)on2)n1C	126885	KUDMKRSRUMJXLV-UHFFFAOYSA-N	210.262	1.500	0	30	BDAC	
O=C1OCCN1CCCN1CCCCC1	67715247	KPAGCBDAJXZVAC-UHFFFAOYSA-N	212.293	1.315	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](C2(N)CC2)C1	215079701	BLXRERKTGCGAIW-VIFPVBQESA-N	226.320	1.735	0	30	BDAC	
Cn1cc(-c2nc3ccc(N)cc3o2)cn1	26514132	JGWXXAAJPYFBMK-UHFFFAOYSA-N	214.228	1.811	0	30	BDAC	in-vitro
NOCC[C@@H]1CCO[C@H](c2ccccc2)O1	39325663	CVLUOQVVWFPWDY-RYUDHWBXSA-N	223.272	1.771	0	30	BDAC	
COc1nsc(OC)c1Br	196192069	QXUSWDSZOXPYAV-UHFFFAOYSA-N	224.079	1.923	0	30	BDAC	
CNC(=O)Oc1cccc2c1O[C@@H](C)C2	2039443	JTBBRGSSVACAJM-ZETCQYMHSA-N	207.229	1.728	0	30	BDAC	
COc1cccc(C[C@@H](N)CC(=O)O)c1	57938945	UIMAQFUSTFNVPJ-SECBINFHSA-N	209.245	1.040	0	30	BDAC	
CC[C@@H](N)COc1ccc(C(=O)O)cc1	57835112	NQGWGHJZEARFNJ-SECBINFHSA-N	209.245	1.501	0	30	BDAC	
O=C(O)[C@@H]1Cc2ccc(Cl)cc2CN1	144484615	JCIOLAVNXSFZSH-VIFPVBQESA-N	211.648	1.439	0	30	BDAC	
CC(C)C[C@H](CN)CC(=O)O[C@H]1CCOC1	83862731	RZMVYOBKQJTRRS-QWRGUYRKSA-N	229.320	1.330	0	30	BDAC	
CCOC(=O)c1cnc2c(n1)CC[C@@H]2C	201338769	LWOQHBPYXHSRGX-ZETCQYMHSA-N	206.245	1.703	0	30	BDAC	
CC[C@@]1(CCC(C)C)OC[C@H](CO)O1	5651652	HNGJBTVYNSPFPZ-WDEREUQCSA-N	202.294	1.937	0	30	BDAC	
CCCCC1(CCCC)C(=O)NC(=O)NC1=O	5510527	KXOZJFGEGGNJDX-UHFFFAOYSA-N	240.303	1.719	0	30	BDAC	
C[C@H](O)CN(C[C@H](C)O)C1CCCCC1	5735088	QMEZIAQDVYFSDQ-QWRGUYRKSA-N	215.337	1.383	0	30	BDAC	
O=C(O)[C@H]1CC2(CCNCC2)c2ccccc21	79031025	GFZQHCJJAVQLAN-NSHDSACASA-N	231.295	1.880	0	30	BDAC	in-vitro
N[C@@H]1CCN(c2cc(Cl)nc(Cl)n2)C1	1535538979	VWXWFSPIZCVEEP-RXMQYKEDSA-N	233.102	1.321	0	30	BDAC	
NC1CN(c2ccc(C(F)(F)F)cc2)C1	82593206	OKYPMRZPXYEEBO-UHFFFAOYSA-N	216.206	1.853	0	30	BDAC	
CC(C)N1CCC(NC[C@@H]2CCCO2)CC1	19963411	YVMJJSXZMOPFPI-ZDUSSCGKSA-N	226.364	1.628	0	30	BDAC	
COC(=O)c1c(Cl)cnnc1Cl	258072643	UTOCQCMHHLEKSV-UHFFFAOYSA-N	207.016	1.570	0	30	BDAC	
O=C(O)c1cnc(NCC(F)(F)F)cn1	70582293	PROCYFRYEDPOKC-UHFFFAOYSA-N	221.138	1.149	0	30	BDAC	
CCN(CC)CCCN1CCOC1=O	65949676	KMZYYPULLWCREG-UHFFFAOYSA-N	200.282	1.171	0	30	BDAC	
O=C(NCc1ccncc1)NCc1ccncc1	33608288	OKASJGXMIDPYIG-UHFFFAOYSA-N	242.282	1.476	0	30	BDAC	
COc1ccc(CN2CCC[C@H](O)C2=O)cc1	91365489	XHZFHAGIQPYPAM-LBPRGKRZSA-N	235.283	1.179	0	30	BDAC	
C[C@H](O)CCOC(=O)c1ccccc1O	33607826	GOWRHHXEUNPVIC-QMMMGPOBSA-N	210.229	1.320	0	30	BDAC	
CO[C@@](C)(CN)COCc1ccccc1	238375328	HELYWKYLNYYXDZ-LBPRGKRZSA-N	209.289	1.567	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H]2OCCC[C@@H]21	238207415	YGPOVGXTDBUOGY-LPEHRKFASA-N	243.303	1.146	0	30	BDAC	
O=C(OCCCCCCO)c1cccnc1	1852631	HRRFQOPYFCYNRN-UHFFFAOYSA-N	223.272	1.791	0	30	BDAC	
COc1cc([C@@H](O)CNC(C)C)ccc1O	1846037	XXCCGRRUBBGZRE-NSHDSACASA-N	225.288	1.432	0	30	BDAC	in-man
COc1cc(O)c(C=O)c(O)c1C(C)=O	13307127	UOURIOWCMYPGGF-UHFFFAOYSA-N	210.185	1.122	0	30	BDAC	biogenic,in-vitro
CC[C@H](CNC)NC(=O)OC(C)(C)C	146523184	CPSNFVCRCHVXIF-MRVPVSSYSA-N	202.298	1.509	0	30	BDAC	
CCOC(=O)c1cc(-c2cc[nH]n2)on1	123774	ZFPNEWWDEBDKQB-UHFFFAOYSA-N	207.189	1.241	0	30	BDAC	in-vitro
COc1cnn(Cc2ccc(C(=O)O)cc2)c1	304438975	SLFKNPNDSFNZLS-UHFFFAOYSA-N	232.239	1.638	0	30	BDAC	
Cc1ncsc1CN1CC[C@H](N)[C@@H](C)C1	216244099	ZGGBOVXSOJOKKA-WPRPVWTQSA-N	225.361	1.621	0	30	BDAC	
Cc1csc2c(N(C)CCO)ncnc12	82177	BXONNIGASLAJKS-UHFFFAOYSA-N	223.301	1.428	0	30	BDAC	
COc1ccc(Cn2nnnc2Cl)cc1	308528796	LVWGMAHTEOVSID-UHFFFAOYSA-N	224.651	1.383	0	30	BDAC	
Oc1cc(Br)c(Cl)nn1	238727132	GYOVABSZXRJDQX-UHFFFAOYSA-N	209.430	1.598	0	30	BDAC	
CCOC(=O)c1ccc(CC[C@@H](O)CO)s1	198434292	LPCMJARXPCVXIA-MRVPVSSYSA-N	244.312	1.211	0	30	BDAC	
CC(=O)N/C(=C/c1ccc(C)c(C)c1)C(=O)O	128299	XNMBCSVGHVXHRV-KPKJPENVSA-N	233.267	1.865	0	30	BDAC	
O=C1C=C[C@@H]2CO[C@H](c3ccccc3)N12	34353821	GYAPIMIROZBAGG-ZYHUDNBSSA-N	201.225	1.482	0	30	BDAC	in-vitro
Cn1cc2c(n1)CCN(C(=O)OC(C)(C)C)C2	40448498	SNYMVWVCTSCTLP-UHFFFAOYSA-N	237.303	1.713	0	30	BDAC	
O=C(O)CC[C@@H](Cc1ccccc1)C(=O)O	1706618	GUUZXORJVABSSF-JTQLQIEISA-N	222.240	1.795	0	30	BDAC	
CC[C@H]1Cc2ccccc2CN1C(=N)NO	39102115	WLPFGAAYVYZNCH-NSHDSACASA-N	219.288	1.737	0	30	BDAC	
C[C@@H]1NC[C@H](C)n2c1nnc2C(F)(F)F	40434624	CYPMJSDKSWYWNO-WHFBIAKZSA-N	220.198	1.522	0	30	BDAC	
CO[C@@](C)(COCc1ccccc1)C(=O)O	699372801	VVGMQGJZFTVIPG-LBPRGKRZSA-N	224.256	1.693	0	30	BDAC	
CN1C=CN(C(=O)OCc2ccccc2)CC1=O	88346945	ZTYWGKYXUKYIHN-UHFFFAOYSA-N	246.266	1.568	0	30	BDAC	
CCOC(=O)c1cc2[nH]nc(N)c2s1	90471007	KZYZOJUONCUTLW-UHFFFAOYSA-N	211.246	1.383	0	30	BDAC	
CC(=O)Oc1cc(N)cc2c1OC(C)(C)C2	39110377	UIAJSYUQMNXHSW-UHFFFAOYSA-N	221.256	1.908	0	30	BDAC	
CCOC(=O)c1ccc(N2CCCC2)nc1	40538639	GBMFXFWSILETIS-UHFFFAOYSA-N	220.272	1.859	0	30	BDAC	
CC(=O)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12	100069004	ZWCSPNASTQNGJH-IUCAKERBSA-N	225.288	1.688	0	30	BDAC	
O=C(O)[C@@H](O)c1ccc(F)c(Br)c1	40733932	NQLXSLVZWWAYKM-ZETCQYMHSA-N	249.035	1.706	0	30	BDAC	
C[C@@]1(c2nnc(Br)s2)CCOC1	259438932	PKUZEUPENVZIEG-SSDOTTSWSA-N	249.133	1.979	0	30	BDAC	
O=C(O)c1cc(C2CC(F)(F)C2)[nH]n1	1536096172	DVVWKDMCFJZEHE-UHFFFAOYSA-N	202.160	1.621	0	30	BDAC	
O=[N+]([O-])C1=C[C@@H]2C(Cl)=NC=N[C@H]2C=C1F	607717059	UFJXTOPXCCIMNX-NJGYIYPDSA-N	229.598	1.678	0	30	BDAC	
CCOC(=O)CC(=O)C[C@@H]1CCCO1	43501779	JQZYHGAIIKGKKU-VIFPVBQESA-N	200.234	1.078	0	30	BDAC	in-vitro
O=C1c2ccccc2C(=O)N1[C@H]1CCC[C@H]1O	39269821	ZXTFPDUHMAZCKF-WDEREUQCSA-N	231.251	1.196	0	30	BDAC	
CC(=O)c1sccc1NC(=O)/C=C/C(=O)O	82823	KISCMVVRNTWLOC-NSCUHMNNSA-N	239.252	1.530	0	30	BDAC	
CCOC(=O)/C=C/c1ccc(C(=N)N)cc1	4289423	UAQLKJQCEQYSFF-VMPITWQZSA-N	218.256	1.547	0	30	BDAC	
CN[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	95347653	WZYNYEJNHUTUMN-JSGCOSHPSA-N	234.343	1.495	0	30	BDAC	in-vitro
COC(=O)[C@@H](C)Oc1ccc(N)cc1F	34247758	JLTIRZLWSSRCMB-ZCFIWIBFSA-N	213.208	1.348	0	30	BDAC	
NS(=O)(=O)c1ccc(O)c(Cl)c1Cl	88120859	OORXZCIRXHWOIV-UHFFFAOYSA-N	242.083	1.346	0	30	BDAC	
CC[C@@](Br)(C(N)=O)C(C)C	3604292	YQZUCYWIGWXZQO-ZETCQYMHSA-N	208.099	1.671	0	30	BDAC	in-man
COc1cccc2c1[C@@H](C(=O)O)CC2=O	57493635	WOBDKXYPNQHXPL-ZETCQYMHSA-N	206.197	1.450	0	30	BDAC	
O=C([C@H]1CC12CCNCC2)N1CCCCC1	69792149	QGGKMKGTCZKZFK-LLVKDONJSA-N	222.332	1.389	0	30	BDAC	in-vitro
CCCSc1nc(=O)c([N+](=O)[O-])c(Cl)[nH]1	210800263	GXBABSVBIPUOLI-UHFFFAOYSA-N	249.679	1.834	0	30	BDAC	in-vitro
O=C(O)c1cnn2c1nc(O)c1ccccc12	20458704	IINFFIDJUYJSOS-UHFFFAOYSA-N	229.195	1.286	0	30	BDAC	
O=C(O)[C@@H]1OCCO[C@@H]1c1ccccc1	217697418	OZVZMPDVUMTGKV-NXEZZACHSA-N	208.213	1.228	0	30	BDAC	
CNCCOc1ccc2c(c1)OCCO2	31622897	NIKJMCXDPSUWLR-UHFFFAOYSA-N	209.245	1.056	0	30	BDAC	
CCOC(=O)C1=C(C)NC(=O)N(C)[C@H]1CC	39102619	LEJZOFVXIHYSNM-QMMMGPOBSA-N	226.276	1.257	0	30	BDAC	
Cc1[nH]c(=O)c(C)nc1Br	238479260	NPKVSPCSHIJAIY-UHFFFAOYSA-N	203.039	1.149	0	30	BDAC	
NCCN1CCC(c2ccccn2)CC1	57493507	VDASKFSPCWAOOM-UHFFFAOYSA-N	205.305	1.220	0	30	BDAC	
C[C@H](O)c1nc(Br)cs1	127754127	IGNLIXUAGLRDHT-VKHMYHEASA-N	208.080	1.959	0	30	BDAC	
Cc1cc(CNC[C@@H](O)CO)ccc1Cl	216639956	UNLHDICTMWXFDF-SNVBAGLBSA-N	229.707	1.091	0	30	BDAC	
Cc1cc(C=CC(=O)O)c(C)n1-n1cnnc1	2265271933	KSOIRGCEPQESSQ-UHFFFAOYSA-N	232.243	1.106	0	30	BDAC	
c1cc2c(s1)CCN(C[C@@H]1CCCN1)C2	20072112	CTXVCKILBDADJG-NSHDSACASA-N	222.357	1.858	0	30	BDAC	
OC[C@@H]1[C@H]2C=C[C@@H](C2)N1Cc1ccccc1	950757261	NBACUICTAXNYFV-MELADBBJSA-N	215.296	1.808	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]1CCC(=O)O	211543256	JIBKOWDKEKHEEY-QMMMGPOBSA-N	229.276	1.861	0	30	BDAC	
COc1ccc([C@@H](C)[C@H](N)C(=O)O)cc1	107446878	HYOLSKLZTOUWNN-XCBNKYQSSA-N	209.245	1.211	0	30	BDAC	
COC(=O)C(=O)c1ccc(Cl)cc1O	260279533	VSXLUOVELYCPNA-UHFFFAOYSA-N	214.604	1.401	0	30	BDAC	
CCOC(=O)N1CCC[C@@H]([C@H](C)N)C1	69725462	GGPAWRCOUINSRY-DTWKUNHWSA-N	200.282	1.202	0	30	BDAC	in-vitro
CC(=O)[C@H]1Cc2ccc(O)c(O)c2C1=O	100105632	VXDCZDNRYXVPRH-SSDOTTSWSA-N	206.197	1.042	0	30	BDAC	
COC(=O)c1ccc(C(C)(F)F)nc1	307532205	YSVOGFKRVKIZDK-UHFFFAOYSA-N	201.172	1.980	0	30	BDAC	
COC(=O)CCc1c(C)[nH]c(C(=O)O)c1C	34521325	BAYZEPRJHFPEIG-UHFFFAOYSA-N	225.244	1.435	0	30	BDAC	
COC(=O)[C@@H](N)c1cccc(F)c1F	82523073	SGUAWIBDAFYDGW-QMMMGPOBSA-N	201.172	1.138	0	30	BDAC	
CC(C)(C)OC(=O)NCC[C@H](F)C(=O)O	694885096	PCSNITIMCCDDPY-LURJTMIESA-N	221.228	1.324	0	30	BDAC	
COc1cccc(C2(C(F)(F)F)NN2)c1	22062359	PUYZOKJLNFUGBZ-UHFFFAOYSA-N	218.178	1.518	0	30	BDAC	in-vitro
C[C@H](N)c1cccc(OCCN(C)C)c1	22169198	DESQUQJVIHLQJU-JTQLQIEISA-N	208.305	1.647	0	30	BDAC	in-vitro
NC[C@@H](C(=O)O)c1ccc(C(F)(F)F)cc1	95760852	XYYPXHLJMILYKK-MRVPVSSYSA-N	233.189	1.832	0	30	BDAC	
COc1cc(CCC(=O)CCO)ccc1O	140309988	NTSIUGKGKNGLLP-UHFFFAOYSA-N	224.256	1.285	0	30	BDAC	
CN1CCC[C@H]1CC(=O)C[C@H]1CCCN1C	968237	ZEBIACKKLGVLFZ-TXEJJXNPSA-N	224.348	1.524	0	30	BDAC	endogenous,in-man
N[C@@H](Cc1ccc2occc2c1)C(=O)O	44285021	OEZXOEKTERTZRP-VIFPVBQESA-N	205.213	1.387	0	30	BDAC	
Cc1nc2c(O)cc(C(=O)O)cc2n1C	222728775	HIHMZZOBFFBDSI-UHFFFAOYSA-N	206.201	1.286	0	30	BDAC	
C=Cc1ccc(COC[C@H](O)CO)cc1	79416480	DMLOEBMSYNOCQP-GFCCVEGCSA-N	208.257	1.199	0	30	BDAC	
O=C(O)c1cc(Cc2ccccc2)on1	201719098	MQTGSIQQEKYWMR-UHFFFAOYSA-N	203.197	1.964	0	30	BDAC	in-vitro
NC[C@@H]1COC(=O)N1c1ccc(Cl)cc1	222082093	QGTWMRUCFCOWFF-SECBINFHSA-N	226.663	1.624	0	30	BDAC	
CCOC(=O)c1ccc2c(c1)C[C@H](NC)C2	261313161	ZAVDXGPXRWGBIT-GFCCVEGCSA-N	219.284	1.550	0	30	BDAC	
O=C(O)Cc1nc(Cc2ccccc2)no1	20418106	UOFCMZQYBMRUDL-UHFFFAOYSA-N	218.212	1.288	0	30	BDAC	
NC(=S)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21	100242851	DHWGVLNGJNHMLY-SQQIUAQRSA-N	208.330	1.420	0	30	BDAC	
CCOC(=O)c1nc(Br)co1	306430549	XYXJAUOWPROTPC-UHFFFAOYSA-N	220.022	1.614	0	30	BDAC	
CCOC(=O)c1ccnc2onc(C)c12	224438825	MNRORDGHNXAOBA-UHFFFAOYSA-N	206.201	1.708	0	30	BDAC	
O[C@@H](Cc1ccccc1)C1=CCCOC1	5933605	RQCMEGSOOZSUIE-ZDUSSCGKSA-N	204.269	1.937	0	30	BDAC	
CN(CC(N)=S)C(=O)c1ccccc1	41217557	NCIMCDTUBDGXQJ-UHFFFAOYSA-N	208.286	1.045	0	30	BDAC	in-vitro
O=C(O)c1cc2ncccc2nc1Cl	258058167	SFZHLIGLICZVEO-UHFFFAOYSA-N	208.604	1.981	0	30	BDAC	
CS(=O)(=O)c1cc(Cl)cc(CN)c1	115041278	WVPIKPCTRYFRKB-UHFFFAOYSA-N	219.693	1.202	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CC[C@](N)(C2CC2)C1	307480032	GEYUKBFVERUJKL-GFCCVEGCSA-N	226.320	1.735	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@]1(C)O	200995762	LEGONGASYNNKAJ-GZMMTYOYSA-N	215.293	1.815	0	30	BDAC	
NCc1cccc(COC[C@H]2CCCO2)c1	19390884	JKFKOJLQIJOSHD-CYBMUJFWSA-N	221.300	1.841	0	30	BDAC	
CC(C)(C)OC(=O)N1[C@H](CN)C[C@H]2OCC[C@H]21	757122920	OIMPGVGLMDMDKP-IVZWLZJFSA-N	242.319	1.112	0	30	BDAC	
Cn1c(C(=O)NCCCO)cc2ccccc21	82272231	UCMDXQXWQDEBSZ-UHFFFAOYSA-N	232.283	1.291	0	30	BDAC	
Cc1ccc(OC[C@](C)(O)CO)cc1C	6071204	IFSQBTQASZDHGA-GFCCVEGCSA-N	210.273	1.426	0	30	BDAC	
CCOC(=O)N1CC[C@@H](N)C12CCCCC2	39473107	GCEHKYDEOVWBRJ-SNVBAGLBSA-N	226.320	1.879	0	30	BDAC	
N[C@H]1CCOc2ncc(Br)cc21	238607769	NXCZJKUGVZVXDB-ZETCQYMHSA-N	229.077	1.626	0	30	BDAC	
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CCC1=O	261508326	RKXNVWAQNWFPEV-PHDIDXHHSA-N	224.178	1.707	0	30	BDAC	
Cn1cncc1-c1cc(F)ccc1C(=O)O	697926497	KRYAPUXTSDTMLA-UHFFFAOYSA-N	220.203	1.924	0	30	BDAC	
CCOCCOc1nc(Cl)nc(Cl)n1	38611954	QCIAWGOXCYGJNS-UHFFFAOYSA-N	238.074	1.594	0	30	BDAC	
CCOC(=O)C1=NO[C@H](OCC)CC1	36467043	ZFRDVXUWZIEVIT-QMMMGPOBSA-N	201.222	1.079	0	30	BDAC	
O=c1[nH]c2cc(Cl)cc(Cl)c2c(=O)o1	39214231	KZMDVQUHXZGVGP-UHFFFAOYSA-N	232.022	1.788	0	30	BDAC	
COC(=O)c1cccn(CC(C)(C)F)c1=O	2242993274	FOEJIMPGBNOKKE-UHFFFAOYSA-N	227.235	1.383	0	30	BDAC	
COC(=O)[C@@H]1OCCc2c(O)cccc21	2265383632	GWWXNTHEVXHMFX-SNVBAGLBSA-N	208.213	1.179	0	30	BDAC	
C[C@@H]1C[C@H](N2CNC(=S)NC2)CC(C)(C)C1	20444245	QLYOUVNYMNCTDU-ZJUUUORDSA-N	241.404	1.896	0	30	BDAC	
C[C@@H]1CCN2C(=O)c3ccccc3[C@@H]2N1	39105112	UNHBIGQAVITGJE-LDYMZIIASA-N	202.257	1.523	0	30	BDAC	
N[C@@H]1CCCN(c2cccc(F)c2)C1=O	68593383	CJSDQGAHEZCMEI-SNVBAGLBSA-N	208.236	1.280	0	30	BDAC	in-vitro
CCOC(=O)C(F)(F)C(OCC)OCC	308668442	RLNZYDIAJNEKHW-UHFFFAOYSA-N	226.219	1.584	0	30	BDAC	
CN1CC[C@@H](Oc2cc(N)ccc2F)C1	39109019	JRCCCHHHYLJYKR-SECBINFHSA-N	210.252	1.491	0	30	BDAC	
COC(=O)[C@@]1(N)CCCc2ccccc21	35571335	MPGZNJMZAVIMDJ-GFCCVEGCSA-N	205.257	1.350	0	30	BDAC	
CCOC[C@@H](N)Cc1ccc(F)cc1F	84064032	YYKKATMPRATNRQ-JTQLQIEISA-N	215.243	1.871	0	30	BDAC	
O=C(OCc1ccccc1)N1C[C@H]2CNC[C@@H]2C1	98092185	OQLOYGBBFHCQCX-CHWSQXEVSA-N	246.310	1.474	0	30	BDAC	
CO[C@@H](C)C(=O)CC(=O)OC(C)(C)C	238365993	KGCWZUUHWOJTDR-ZETCQYMHSA-N	202.250	1.322	0	30	BDAC	
O=C(O)c1cnc2n1C[C@@H](C(F)(F)F)CC2	675049920	ADGWSXWXOZTESS-YFKPBYRVSA-N	234.177	1.706	0	30	BDAC	
C[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O	96330628	ZZQKEINORXICEN-DTWKUNHWSA-N	243.303	1.193	0	30	BDAC	
COc1cc2[nH]c(=O)ccc2cc1C(=O)O	36420967	GMOINSXQLVGEOP-UHFFFAOYSA-N	219.196	1.235	0	30	BDAC	
CC(C)(C)[C@@]12CNCC[C@H]1CN2C(=O)O	114318859	GRDKYARCMDIHSO-GZMMTYOYSA-N	212.293	1.374	0	30	BDAC	
C[C@@H](CS(N)(=O)=O)c1cccc(F)c1	258783191	GECLCEKRULIFPA-ZETCQYMHSA-N	217.265	1.218	0	30	BDAC	
CCOC(=O)C(Cl)(Cl)OCC	1692391	LISFRSVACTWQKK-UHFFFAOYSA-N	201.049	1.717	0	30	BDAC	
O=C1NCc2cnc(Br)cc21	95764362	IZYHYCYPUYZETO-UHFFFAOYSA-N	213.034	1.088	0	30	BDAC	
COc1cc([C@H](O)CNC(C)C)ccc1O	495	XXCCGRRUBBGZRE-LLVKDONJSA-N	225.288	1.432	0	30	BDAC	in-man
O=C(O)c1csc(COC2CCC2)n1	378726008	UBGMHDBTKQBOIB-UHFFFAOYSA-N	213.258	1.910	0	30	BDAC	
CC[C@H]1N=C(C(=O)OC(C)C)CS1	39100715	FZCGOVHKUYLGNJ-QMMMGPOBSA-N	201.291	1.862	0	30	BDAC	
CCOP(=O)(C[C@@H]1CC(=O)O1)OCC	34133065	IEGSHSSXFQWWBK-ZETCQYMHSA-N	222.177	1.568	0	30	BDAC	
COc1cc(CCN)cc(OC)c1OC(F)F	37722018	MMARNDCKXDBJES-UHFFFAOYSA-N	247.241	1.806	0	30	BDAC	
COC[C@@H](N)Cc1ccc(F)cc1F	50886209	BAKPKQVHOYVXNI-VIFPVBQESA-N	201.216	1.481	0	30	BDAC	
O=C(OCc1ccccc1)C1=CCNCC1	206326200	OXQDPHXCBQSXFZ-UHFFFAOYSA-N	217.268	1.650	0	30	BDAC	
Cn1nc(C=Cc2ccccc2)ccc1=O	2265233893	LLZYACOOTFNJNI-UHFFFAOYSA-N	212.252	1.951	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NO	142817000	VHKCSSWTIDGQIS-LLVKDONJSA-N	237.299	1.918	0	30	BDAC	
Cc1c(C(=O)O)c(C(=O)O)c2n1CCS2	149964	FOBCTCMUELFDTM-UHFFFAOYSA-N	227.241	1.299	0	30	BDAC	
O=C(C[C@H](O)C(F)F)c1ccccc1	36459523	SRZNMFAPEIWYJK-VIFPVBQESA-N	200.184	1.885	0	30	BDAC	
C[C@@H](NC(=O)CC1=CCCCC1)C(=O)O	82457448	RTBZWBWJMJTEIB-MRVPVSSYSA-N	211.261	1.466	0	30	BDAC	
CCOC(=O)c1nc2cccc(C)n2n1	238298961	JIBRXVDKWOCDBZ-UHFFFAOYSA-N	205.217	1.214	0	30	BDAC	
COc1cncc(Br)c1C(=O)O	211805270	SKOJBHRMFGVISP-UHFFFAOYSA-N	232.033	1.551	0	30	BDAC	
CCN(Cc1noc(C)n1)[C@@H]1CCCNCC1	98095703	PGRZAJXNNHBIFE-LLVKDONJSA-N	238.335	1.342	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]1C[C@H](CN)C2	685952441	LIAZMUWNCUWUJY-VWYCJHECSA-N	240.347	1.981	0	30	BDAC	
Nc1cc(C(=O)NC2CC2)ccc1Cl	2000322	NNXCOYJTMBYPGP-UHFFFAOYSA-N	210.664	1.814	0	30	BDAC	
NS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1	39242131	YQSLMTQTHWSVHZ-UHFFFAOYSA-N	242.083	1.346	0	30	BDAC	
C[C@H](CN(C)C(=O)OC(C)(C)C)[S@](=O)O	2265385018	PWXZSALMURGFJF-SSDOTTSWSA-N	237.321	1.464	0	30	BDAC	
Oc1cc(O)cc([C@@H](O)[C@H]2CCCCN2)c1	39098576	QWTCJQYFPPSBKP-VXGBXAGGSA-N	223.272	1.273	0	30	BDAC	
CCOC(=O)C[C@@H]1OC(=O)C(O)=C1CC	34535322	JFHGNVVRFMTLGO-ZETCQYMHSA-N	214.217	1.087	0	30	BDAC	
COc1ccccc1Cn1nnnc1S	15924227	WNQZTOHANKBBNM-UHFFFAOYSA-N	222.273	1.019	0	30	BDAC	
CCOC(=O)Cc1cnc(Br)cn1	259550658	DJAUEMUUSOJEAC-UHFFFAOYSA-N	245.076	1.345	0	30	BDAC	
COC(=O)c1nc([C@H]2CCCN2)sc1C	98210039	RYRSPEAPFSAOAT-SSDOTTSWSA-N	226.301	1.663	0	30	BDAC	in-vitro
Cn1[nH]cc(-c2nc3ccccc3[nH]2)c1=N	685981236	ZWHYGRUBRRBNTA-UHFFFAOYSA-N	213.244	1.376	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CO	1535953605	TZADKBOMRWEHDD-YIZRAAEISA-N	213.277	1.234	0	30	BDAC	
COc1cc(F)cc(OCC(=O)O)c1	2265385357	NIRDKIPLSLYETQ-UHFFFAOYSA-N	200.165	1.298	0	30	BDAC	
COc1ccc(C[C@H]2CCCN2)cc1OC	11630862	PVZYPDMLAMMCDC-LLVKDONJSA-N	221.300	1.998	0	30	BDAC	in-vitro
COC(OC)c1nc(C(F)(F)F)c[nH]1	142709336	WOCJTBQTGNIJJZ-UHFFFAOYSA-N	210.155	1.720	0	30	BDAC	
C[C@@H]1C[C@@H]2OC(=O)[C@H](C)[C@@H]2CC=C1CCO	141596430	MOXJTUNOIGNZKZ-LSKIRQOJSA-N	224.300	1.903	0	30	BDAC	endogenous,in-man
O=C(N1C[C@@H]2C=CCC[C@H]2C1)C(F)(F)F	39055797	TWRGGEBFZHEKMV-YUMQZZPRSA-N	219.206	1.973	0	30	BDAC	
Nc1nnc(SC[C@H](O)C(F)(F)F)s1	6292541	XAZGPMHRZJWHRX-REOHCLBHSA-N	245.251	1.136	0	30	BDAC	
Nc1n[n+](-c2ccc(Cl)c(Cl)c2)no1	13906674	KMVGWIQTUUBYAV-UHFFFAOYSA-N	232.050	1.235	0	30	BDAC	in-vitro
O=C1[C@H]2CC[C@@H](O)[C@H]1Cc1ccccc12	214306279	GQFDXYYDQTVPOY-QJPTWQEYSA-N	202.253	1.666	0	30	BDAC	in-vitro
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CCN)O1	687762679	DUXPNWAYHPWSLH-ZJUUUORDSA-N	244.335	1.360	0	30	BDAC	
CN(C)[S@@](=O)c1nc2ccccc2s1	5965245	FAMTXHDRBMBNAJ-CQSZACIVSA-N	226.326	1.881	0	30	BDAC	
COc1cc(CC[C@@H](C)N)cc(OC)c1OC	62153454	HFAOLEZXAUSKMX-SECBINFHSA-N	239.315	1.992	0	30	BDAC	
O=C1CC2(CCNCC2)Oc2cccc(O)c21	72232943	ZDYFZFREYIKWGA-UHFFFAOYSA-N	233.267	1.480	0	30	BDAC	
Cc1ccc2nnc([C@@H](CN)C(C)C)n2n1	83602713	SMRDOKICZMJILV-VIFPVBQESA-N	219.292	1.131	0	30	BDAC	in-vitro
CN[C@@H](Cc1ccc(F)cc1)c1nc[nH]n1	83746578	DPQAIBKSNKKGAZ-JTQLQIEISA-N	220.251	1.447	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCNC1	82123425	SWXKQKRTYYRLEM-MNOVXSKESA-N	240.347	1.995	0	30	BDAC	
COC(=O)c1ccc(-c2nnco2)cc1	121931	FKUAJCIRULEXLN-UHFFFAOYSA-N	204.185	1.523	0	30	BDAC	
Cc1cnc(NC(=O)[C@@H]2CCCNC2)s1	19410876	IRDFFYBOIKFODT-MRVPVSSYSA-N	225.317	1.390	0	30	BDAC	
O=S1(=O)Cc2ccc(Br)cc2N1	1535413868	ZJNWDKIDOPAZLJ-UHFFFAOYSA-N	248.101	1.704	0	30	BDAC	
CC(=O)Nc1ccc2ccc(CO)nc2n1	39123984	YLYOYHOORNTABZ-UHFFFAOYSA-N	217.228	1.081	0	30	BDAC	
O=Cc1cnn2ccc(Br)cc12	82361008	PDZJMEHDPABUAI-UHFFFAOYSA-N	225.045	1.909	0	30	BDAC	
O=C(O)C12CC(c3ccccc3)(CN1)C2	688271349	ICVIZUAUURPPSU-UHFFFAOYSA-N	203.241	1.145	0	30	BDAC	
CNC(=O)CN[C@@H](C)c1ccc(F)cc1Cl	95215256	LEWVCGOUQZLNLO-ZETCQYMHSA-N	244.697	1.876	0	30	BDAC	in-vitro
COC(CNCc1ccc(F)cc1)OC	35940221	HKLYXRIMOHSPQP-UHFFFAOYSA-N	213.252	1.534	0	30	BDAC	
CN(C)C=C(C#N)C(=O)Nc1ccc(F)cc1	8577763	VFNBJZDUYCFFLY-UHFFFAOYSA-N	233.246	1.733	0	30	BDAC	
CC(C)Oc1ccc([C@@H](N)CCO)cc1	44232944	LRPNDUZWECUYAT-LBPRGKRZSA-N	209.289	1.856	0	30	BDAC	
CCC1(CO)COC(=O)CCCCC(=O)OC1	141875405	RNADTQNGMQIJIS-UHFFFAOYSA-N	244.287	1.036	0	30	BDAC	
O=C(O)c1cn(C(F)F)nc1C(F)F	146344873	ZTYIAENWCNQZGI-UHFFFAOYSA-N	212.102	1.914	0	30	BDAC	
COC(=O)Cc1cc(C=O)c2c(c1)CCO2	2265384967	LLWTUBJJIYIELG-UHFFFAOYSA-N	220.224	1.150	0	30	BDAC	
Cc1nc(-c2ccc3c(c2)CCO3)no1	113541	VLHUWJMTKGTAEU-UHFFFAOYSA-N	202.213	1.980	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H](N)[C@H](C2CC2)C1	144133241	AODHHHHJHRBGHB-UWVGGRQHSA-N	226.320	1.591	0	30	BDAC	
CC(C)Oc1ccc([C@@](C)(N)C(N)=O)cc1	37460050	UVMLBGUOUBEZRE-GFCCVEGCSA-N	222.288	1.133	0	30	BDAC	
CCOC(=O)N1C[C@@H](C)C(N)[C@H](C)C1	39084819	SHTUTXIOXCCHBW-HTQZYQBOSA-N	200.282	1.058	0	30	BDAC	
C[C@@]1(C(N)=O)O[C@H]1c1ccc(Cl)cc1	142419442	LLTQBFKRTFVQDP-WCBMZHEXSA-N	211.648	1.655	0	30	BDAC	
Nc1nc2cccc(-c3ccoc3)n2n1	59110937	OJOZMEOIUCMKTH-UHFFFAOYSA-N	200.201	1.572	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)C2CC1C2	2265347420	SOEKFLPEOGXHTN-AMDVSUOASA-N	241.287	1.717	0	30	BDAC	
CCc1ccccc1NC(=S)NCCO	3119297	BBRGYAQECXPBNJ-UHFFFAOYSA-N	224.329	1.528	0	30	BDAC	
CCOC(=O)c1csc([C@@H](C)N)n1	34544615	BIHAKLFZRIHNNM-RXMQYKEDSA-N	200.263	1.340	0	30	BDAC	
Cc1nc([C@@H]2CCCN(C)C2)oc1C(=O)O	390379846	XGEGHRNDGBXQDL-MRVPVSSYSA-N	224.260	1.490	0	30	BDAC	
COC(=O)C12CC(C1)[C@H](c1ccccc1)N2	2265384989	NXCARRFIKXYKDK-AKJDGMEZSA-N	217.268	1.653	0	30	BDAC	
Sc1nnc(-c2cn(-c3cnccn3)cn2)o1	98095645	OANRMGOTSPWRSM-UHFFFAOYSA-N	246.255	1.001	0	30	BDAC	
COC(=O)[C@@H](N)Cc1c(C)cc(C)cc1C	57514049	JKKPWPVYADIXSX-LBPRGKRZSA-N	221.300	1.655	0	30	BDAC	
COc1cccc2c(CCC(=O)O)n[nH]c12	35569856	WGSHXQJNKRWLMY-UHFFFAOYSA-N	220.228	1.589	0	30	BDAC	
CC(C)C[C@H]1C[C@](C)(C(=O)O)OC1=O	238152122	JXXZNVBUQDPAPM-OIBJUYFYSA-N	200.234	1.439	0	30	BDAC	
O=C(O)C(F)(F)c1nc(F)c(F)cc1F	2265384767	WFVDDZLMFSFKDR-UHFFFAOYSA-N	227.088	1.675	0	30	BDAC	
CN1CCC(NC[C@@H]2C[C@H]3C=C[C@H]2C3)CC1	102526209	XONYYPVLFNIHLU-AVGNSLFASA-N	220.360	1.882	0	30	BDAC	in-vitro
CCO[C@H]1CS[C@]12CCC(=S)N2C	39100348	DPXWAUIOHVRGSE-IONNQARKSA-N	217.359	1.888	0	30	BDAC	
CCNC[C@H](CC)NC(=O)OC(C)(C)C	227715547	ATPVINDJCIICCC-VIFPVBQESA-N	216.325	1.899	0	30	BDAC	
CC(C)NC(=O)[C@@H]1CCCN(c2ncccn2)C1	1357848	MRVDXYKVMUVDPY-LLVKDONJSA-N	248.330	1.218	0	30	BDAC	
CN[C@@H](C(=O)O)c1ccccc1OC(F)F	37180897	BFBDGLUIPGBPFU-MRVPVSSYSA-N	231.198	1.633	0	30	BDAC	
CNc1ccccc1C(=O)OCC(C)=O	559411	DVVRESTXOABXSY-UHFFFAOYSA-N	207.229	1.474	0	30	BDAC	
O=C(O)c1cc(C2CNC2)ccc1Cl	83428747	JSKYVZHJJFEJPN-UHFFFAOYSA-N	211.648	1.725	0	30	BDAC	
CCOC(=O)C(=O)/C=C/c1ccncc1	32099170	GXGHFPQMESFCKG-ONEGZZNKSA-N	205.213	1.227	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)O	238185891	KYHGZORJGSFFSC-YUMQZZPRSA-N	245.275	1.001	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC=CC[C@H]1N	238102016	ZVLNZCWYODODPW-RKDXNWHRSA-N	212.293	1.557	0	30	BDAC	
Brc1ncn([C@H]2CCCCO2)n1	118150985	PMOIJEIPLOFHIO-ZCFIWIBFSA-N	232.081	1.740	0	30	BDAC	in-vitro
C[C@@H]1C[C@@H](C)CC(O)(C(F)(F)CN)C1	675073529	KTAOPYAALRAKPG-HTQZYQBOSA-N	207.264	1.768	0	30	BDAC	
COC(=O)c1cccc2cc(N)cnc12	215773288	SIMSAXJLWWXSGA-UHFFFAOYSA-N	202.213	1.604	0	30	BDAC	
CNCc1ccccc1OCCN(C)C	12370453	WHBYXCTXAOHVPI-UHFFFAOYSA-N	208.305	1.346	0	30	BDAC	
C[C@@H]1C2CC(C(=O)O)(C2)N1C(=O)OC(C)(C)C	2265384788	YPKKYJLEFNICPL-OQNPIJIBSA-N	241.287	1.859	0	30	BDAC	
O[C@@H](CSc1ncccn1)C(F)(F)F	6253004	IANDACQCYXVFNW-YFKPBYRVSA-N	224.207	1.492	0	30	BDAC	
CN(C(=O)OC(C)(C)C)[C@]1(C(=O)O)CCOC1	69551137	FBIWFNNVEHODOH-LLVKDONJSA-N	245.275	1.097	0	30	BDAC	in-vitro
CCOc1ccc(Br)c(CO)n1	51951705	BCTLPWXUPKNZQY-UHFFFAOYSA-N	232.077	1.735	0	30	BDAC	
O=S1(=O)Nc2ccccc2N1C1CC1	521399658	CFAIHEBXDMMBRA-UHFFFAOYSA-N	210.258	1.326	0	30	BDAC	in-vitro
Nc1nc(N)c2c(C(F)(F)F)cccc2n1	5387448	BKZKSEVOJGEMSX-UHFFFAOYSA-N	228.177	1.813	0	30	BDAC	
CCOC(=O)[C@H](N)c1cccc(C)c1C	33367993	NBOOJFMSVAYJOY-LLVKDONJSA-N	207.273	1.866	0	30	BDAC	
O=C1NCCCC[C@H]1I	78045508	BCEMFOYMSQZJGU-RXMQYKEDSA-N	239.056	1.090	0	30	BDAC	
CN(C)NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	102933981	BOOLCFQIXRVWKV-CIUDSAMLSA-N	213.350	1.116	0	30	BDAC	
COc1ccccc1N1CCC[C@@H](N)C1=O	68575472	USOYCZDVOSHASX-SECBINFHSA-N	220.272	1.149	0	30	BDAC	in-vitro
Cc1nnc2c(NC3(CN)CCCC3)nccn12	83735497	UDYDCYMIHFNEJS-UHFFFAOYSA-N	246.318	1.116	0	30	BDAC	
Cc1ccc(CN2CCO[C@H](CN)C2)cc1	11885836	XYEYAYNRWWUWDU-CYBMUJFWSA-N	220.316	1.155	0	30	BDAC	in-vitro
COC(=O)[C@H]1CC[C@H](C(F)(F)F)CN1	307641036	ICPGSLGKPXNNJN-NTSWFWBYSA-N	211.183	1.090	0	30	BDAC	
O=C(O)C[C@H]1C(=O)Nc2cc(Cl)ccc21	71483334	UGTURONJYZTWAN-SSDOTTSWSA-N	225.631	1.850	0	30	BDAC	
NCc1cc(O)cc(Br)c1	95762067	DRSBDNOKJUXMAE-UHFFFAOYSA-N	202.051	1.613	0	30	BDAC	
CSc1cc(Br)nn1C	214775594	VLVDPGPAXNAYMA-UHFFFAOYSA-N	207.096	1.905	0	30	BDAC	
COC(=O)Cc1cccc2occ(O)c12	2265385675	BWZIYGXGMNUOSL-UHFFFAOYSA-N	206.197	1.854	0	30	BDAC	
O=C(O)/C=C/C(=O)Nc1cc(F)ccc1F	97846	YQOSOCNBRLVPKD-ONEGZZNKSA-N	227.166	1.544	0	30	BDAC	
CCOC(=O)C[C@]1(O)CCOc2ccccc21	52248422	RJWYKHRMSHACIR-CYBMUJFWSA-N	236.267	1.610	0	30	BDAC	
CS(=O)(=O)c1ccc([C@@H]2CCCN2)cc1	19406191	OYAAEDKXNSKBDC-NSHDSACASA-N	225.313	1.515	0	30	BDAC	
COc1ncnc2ccc([N+](=O)[O-])cc12	394664825	BYZCOUGYECTJEQ-UHFFFAOYSA-N	205.173	1.547	0	30	BDAC	
CN1CCn2c(Br)cnc2C1	213085330	KBHXHPCBXXSEEJ-UHFFFAOYSA-N	216.082	1.091	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(=C(F)CN)C1	1535543608	GEGSYXAYKDRQRW-UHFFFAOYSA-N	216.256	1.419	0	30	BDAC	
Cn1cnc2ncc(C(F)(F)F)cc21	2265385421	WCBOCYZWHYEGHO-UHFFFAOYSA-N	201.151	1.987	0	30	BDAC	
O=S1(=O)C[C@@H](N2CCCC2)c2ccccc21	63598812	HZENQEDQLWABHN-LLVKDONJSA-N	237.324	1.611	0	30	BDAC	
COCCSCc1ccc(C(=O)O)o1	35321594	CSZFYCMBDKCSGG-UHFFFAOYSA-N	216.258	1.857	0	30	BDAC	
CC(C)C[C@H](CN)CC(=O)O[C@@H]1CCOC1	83862729	RZMVYOBKQJTRRS-WDEREUQCSA-N	229.320	1.330	0	30	BDAC	
O=C1Cc2cc(Br)ncc2CN1	95764277	VCPHJHDXTKUSSC-UHFFFAOYSA-N	227.061	1.016	0	30	BDAC	
COCc1nnc2nc(-c3ccccc3)cnn12	33890822	XLFAEOISSVJMES-UHFFFAOYSA-N	241.254	1.333	0	30	BDAC	
CCOc1cc(C(F)(F)F)cnc1C(=N)NO	18043768	MIRUSLOUZRIWNE-UHFFFAOYSA-N	249.192	1.803	0	30	BDAC	
CCN(C)S(=O)(=O)c1cc(F)ccc1N	37929364	AEXAOFQPPHXXPR-UHFFFAOYSA-N	232.280	1.048	0	30	BDAC	in-vitro
IC1=CCOCC1	95761663	KNZSUJFOLGDAQV-UHFFFAOYSA-N	210.014	1.726	0	30	BDAC	
CS(C)(=O)=NC(=O)c1cccc([N+](=O)[O-])c1	147921302	KVTNXJHTFSZELD-UHFFFAOYSA-N	242.256	1.463	0	30	BDAC	
CN(C)CCc1c[nH]c2cc(O)ccc12	2039538	WUQMRWPLIMXBDX-UHFFFAOYSA-N	204.273	1.978	0	30	BDAC	biogenic,in-vivo
CC(=O)O[C@@H](CCc1ccccc1)C(=O)O	21304148	IRUYOQOUDJZKEH-NSHDSACASA-N	222.240	1.636	0	30	BDAC	
C[C@H](O)c1ccnc(Br)c1	114108902	DBNKYNVEWZKOJX-YFKPBYRVSA-N	202.051	1.897	0	30	BDAC	
CC[C@@H]1C[C@]1(O)C[C@H]1COC(C)(C)O1	39100641	GBRWKWGFTBKOFL-YWVKMMECSA-N	200.278	1.689	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2C(=O)C[C@H]21	136275247	PJADABYYIMBUQR-HTQZYQBOSA-N	211.261	1.585	0	30	BDAC	
COc1ccc(OCCN)cc1Cl	82592123	IXSTXHKLTFZUPO-UHFFFAOYSA-N	201.653	1.686	0	30	BDAC	
CCOP(=O)(C[C@H]1CC(=O)O1)OCC	34133067	IEGSHSSXFQWWBK-SSDOTTSWSA-N	222.177	1.568	0	30	BDAC	
Cc1cc(=O)[nH]nc1-c1ccc(N)cc1	5116197	NWUOGOISBQCNKQ-UHFFFAOYSA-N	201.229	1.328	0	30	BDAC	
OCCCOc1ccc(Br)cn1	42389779	ZGYSXQAWRWCIMF-UHFFFAOYSA-N	232.077	1.605	0	30	BDAC	
CCOC(=O)c1c(C)n(C)sc1=N	100235367	BVIXZFQLLNJBMW-UHFFFAOYSA-N	200.263	1.051	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2C=CC[C@]2(CO)C1	104830587	VOLHNHGGWXWOLT-ZWNOBZJWSA-N	239.315	1.792	0	30	BDAC	
O=C1C[C@@H](Cc2ccc3c(c2)OCO3)CO1	38302263	VDOASTUDMBVJNF-SECBINFHSA-N	220.224	1.521	0	30	BDAC	
CC(C)(C)OC(=O)N1CC2(CCCCNC2)C1	84234511	MGYPDLTUENVJEL-UHFFFAOYSA-N	240.347	1.997	0	30	BDAC	
CNc1ncc(Br)n2ccnc12	90505562	BKMPHMQKOOMHKV-UHFFFAOYSA-N	227.065	1.534	0	30	BDAC	
CN[C@@H](CNC(=O)OC(C)(C)C)C1CC1	95883669	KUQTVSBIBUEQNN-VIFPVBQESA-N	214.309	1.509	0	30	BDAC	
C=C(C)C(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2C	396045233	AUHQRTFXZKGZHG-LXUNUROVSA-N	210.273	1.511	0	30	BDAC	
N[C@@H]1CCO[C@H]1c1cnn(CC2CC2)c1	399718990	DGHIZVKGQDKHJR-MNOVXSKESA-N	207.277	1.082	0	30	BDAC	
C[C@@H](CO)C1CCN(CCCCN)CC1	13895050	DZCRLRIXXMTCRQ-NSHDSACASA-N	214.353	1.066	0	30	BDAC	
COC(=O)[C@H]1C[C@@H](CN)c2ccccc21	38363669	VLYNBHYMQUZEDV-KWQFWETISA-N	205.257	1.389	0	30	BDAC	
O=C(O)c1c(O)ccc(F)c1Br	214077719	DNSGIMSYWRVRCA-UHFFFAOYSA-N	235.008	1.992	0	30	BDAC	
CS(=O)(=O)c1cc(Cl)c(Cl)cc1N	87418279	QLBPZTOZFWUFON-UHFFFAOYSA-N	240.111	1.979	0	30	BDAC	
COCCNCc1cncc(Br)c1	53292920	FQABEWNVZMCLPI-UHFFFAOYSA-N	245.120	1.580	0	30	BDAC	in-vitro
COc1nsc(C(=O)O)c1Br	575466111	NAPNFCDSGGIFDR-UHFFFAOYSA-N	238.062	1.612	0	30	BDAC	
CN1CC2(CCNCC2)c2ccccc21	39149233	PLEHSLVXSJBCKV-UHFFFAOYSA-N	202.301	1.758	0	30	BDAC	
CCOC(=O)c1nc(N)sc1CC	39084891	ZNARCFDZLZOYKZ-UHFFFAOYSA-N	200.263	1.464	0	30	BDAC	
O=C(O)[C@@H]1NC[C@H]1c1cccc(C(F)(F)F)c1	2265385644	VXLJTTGMZDRTGG-DTWKUNHWSA-N	245.200	1.845	0	30	BDAC	
CCOC(=O)NC(=S)Nc1cccc(C)n1	40141	KBBGEMAIBQZBMX-UHFFFAOYSA-N	239.300	1.833	0	30	BDAC	biogenic
COc1ccc(NC(C)=O)cc1NCCO	5137995	UVFWYFFTOWZUAY-UHFFFAOYSA-N	224.260	1.058	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](CN)C12CC2	258022500	FVVGHEDRHRKRSN-SECBINFHSA-N	226.320	1.735	0	30	BDAC	
CCOC(=O)N1CCC[C@H]([C@H](C)N)C1	69725460	GGPAWRCOUINSRY-IUCAKERBSA-N	200.282	1.202	0	30	BDAC	in-vitro
Nc1cc(-c2ccc(O)c(N)c2)ccc1O	2579086	KZLDGFZCFRXUIB-UHFFFAOYSA-N	216.240	1.929	0	30	BDAC	
NNc1cc(C(=O)NCC2CCCCC2)ccn1	51127739	UJHWPTXCDQFUJV-UHFFFAOYSA-N	248.330	1.677	0	30	BDAC	
COc1ccc2c(c1)nc(CC(=O)O)n2C	74297452	LUPHEXNQUGDWCU-UHFFFAOYSA-N	220.228	1.209	0	30	BDAC	
CC(C)c1cnc(CN(C)[C@@H]2CCNC2)o1	75767024	NVUQGTZHHNXXOZ-SNVBAGLBSA-N	223.320	1.592	0	30	BDAC	
Cc1cnc(CN2C(=O)c3ccccc3C2=O)o1	133254673	SIHCAINVXGPLDZ-UHFFFAOYSA-N	242.234	1.779	0	30	BDAC	in-vitro
CCOC(=O)[C@@]12CCCCC[C@H]1NC(=O)C2	1535641152	RXWPOBMLSMGTKY-BXKDBHETSA-N	225.288	1.389	0	30	BDAC	
O=C(O)[C@H](O)c1ccc(F)cc1Br	228821320	XOAUCLYKGZVZBD-SSDOTTSWSA-N	249.035	1.706	0	30	BDAC	
c1ccc(CN2C[C@H]3CNCC[C@H]32)cc1	250644064	IKSVZAZIOXSKBR-CHWSQXEVSA-N	202.301	1.480	0	30	BDAC	
CC(C)[C@H](CO)CNC(=O)OC(C)(C)C	199471391	CBKJDZORBWJUEV-VIFPVBQESA-N	217.309	1.776	0	30	BDAC	
COC(C[C@@H](C[C@H](C)OC)OC)OC	2013270	HESUCHCHWQCMAR-DTWKUNHWSA-N	206.282	1.435	0	30	BDAC	
C[C@@H](O)c1c(F)cccc1N1CCOCC1	35631067	XGXUERMNJRXEOM-SECBINFHSA-N	225.263	1.716	0	30	BDAC	
CC(=O)n1c(=O)oc2ccc(Cl)cc21	2014286	LOYFUELOTCGIOH-UHFFFAOYSA-N	211.604	1.908	0	30	BDAC	
COc1cc2ncnc(NCCO)c2cc1OC	4324136	XUPPXEJAUREPMO-UHFFFAOYSA-N	249.270	1.051	0	30	BDAC	
COC(=O)c1ccc(C[C@]2(C)CCC(=O)N2)cc1	407985833	NCTPQCXYADGGRW-AWEZNQCLSA-N	247.294	1.684	0	30	BDAC	
CCn1c(=O)n(CC)c2cc(N)c(N)cc21	38855864	FMFNIGZADUEGHR-UHFFFAOYSA-N	220.276	1.007	0	30	BDAC	
CC(C)(N)c1cc(Br)no1	138973339	YJUHIPTWAMGWLE-UHFFFAOYSA-N	205.055	1.631	0	30	BDAC	
O=C(O)c1nc2cccnn2c1Br	212494727	RLBAURZCUFHTJS-UHFFFAOYSA-N	242.032	1.190	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2CN	258168375	IDABRLUXZQGROL-AEJSXWLSSA-N	226.320	1.591	0	30	BDAC	
OCC[C@]1(CO)CC(F)(F)C1(F)F	669371656	NYMHWWFIHCSQFE-RXMQYKEDSA-N	202.147	1.022	0	30	BDAC	
CSc1nc2ccc(C(=O)O)cc2[nH]1	38524099	OMRDMZVYPACUDA-UHFFFAOYSA-N	208.242	1.983	0	30	BDAC	
CC(C)(C)OC(=O)[C@](C)(N)C(F)(F)F	86798413	KHWSJRKMRBXFMH-ZETCQYMHSA-N	213.199	1.608	0	30	BDAC	
CC(=O)SCC(=O)Nc1ccccc1	96328897	XCPPBDAMXRLGKI-UHFFFAOYSA-N	209.270	1.905	0	30	BDAC	
Cc1c(Cl)cccc1NCS(=O)(=O)O	6069049	RVPFFCIRHTUTBY-UHFFFAOYSA-N	235.692	1.906	0	30	BDAC	
Cc1ccc2c(c1)C(=O)C(O)=C(O)C2=O	39096400	HZVZFNGCAWDADG-UHFFFAOYSA-N	204.181	1.702	0	30	BDAC	
COC(=O)c1cccc(CC(=O)O)c1OC	2265384778	XJOWEQTYHJPQJE-UHFFFAOYSA-N	224.212	1.109	0	30	BDAC	
Nc1cc(F)c(N2CCCS2(=O)=O)c(F)c1	2265383734	ZHTOZFWGXBDEMS-UHFFFAOYSA-N	248.254	1.087	0	30	BDAC	
COC(=O)c1cc(F)c2c(C=O)n[nH]c2c1	14983819	DSWMSVPMILOVOP-UHFFFAOYSA-N	222.175	1.301	0	30	BDAC	
CN1CCO[C@H](C(=O)c2ccc(Cl)cc2)C1	85792645	WIQPYWIDGDWGHU-NSHDSACASA-N	239.702	1.853	0	30	BDAC	in-vitro
N[C@H](CS(=O)(=O)O)c1ccc(Cl)cc1	6093186	YXUUWCRKRJHQBE-MRVPVSSYSA-N	235.692	1.228	0	30	BDAC	
CC(C)=C/C(N)=C/C(=S)N1CCOCC1	100102262	DOPCPOHNOOWVLC-NTMALXAHSA-N	226.345	1.455	0	30	BDAC	
C/C=C/[C@@H]1OC[C@H](COC(=O)CCC)O1	137666550	ICPQFQAABAQGLG-HCCYBDGZSA-N	214.261	1.647	0	30	BDAC	
C[S@@](=O)c1ccc(C[S@](C)=O)cc1	221196351	VISBHIRBQQIRON-QWHCGFSZSA-N	216.327	1.303	0	30	BDAC	
CC(=O)N1C(=O)NC(=O)[C@@]12CCCC[C@@H]2C	6037531	IAEOUKDLBPACNG-CPCISQLKSA-N	224.260	1.034	0	30	BDAC	
NC[C@@H](CO)c1cccc(Br)c1	71534505	HVDURYQJOJOLLH-QMMMGPOBSA-N	230.105	1.484	0	30	BDAC	
O[C@@H]1OCc2ccc(Br)cc21	98179722	XQCYHNPLZHWQKE-MRVPVSSYSA-N	215.046	1.970	0	30	BDAC	
O=C1NCCc2c1[nH]c1ccc(O)cc21	14724569	WNGPRJOWLUNBCE-UHFFFAOYSA-N	202.213	1.159	0	30	BDAC	
CO[C@H]1CN(Cc2ccccc2)C[C@H]1OC	21984489	OBIZVDKPKSFVQY-BETUJISGSA-N	221.300	1.532	0	30	BDAC	
COC(=O)[C@@H](N)Cc1cc2ccccc2o1	44327132	DZFXJPYKTCXAQW-JTQLQIEISA-N	219.240	1.476	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1CC12CCNCC2	84306725	CBPVNERVNIGMQF-JTQLQIEISA-N	240.347	1.901	0	30	BDAC	
O=C(O)c1ccc(NCCn2ccnc2)cc1	34142216	BDCORTMAEMWZNE-UHFFFAOYSA-N	231.255	1.693	0	30	BDAC	
O[C@H]1COc2cc(Br)ccc2C1	95642347	KVTIUBQAHQFWQF-MRVPVSSYSA-N	229.073	1.745	0	30	BDAC	
CC(C)(C)OC(=O)NC1CC(C)(C(=O)O)C1	231387212	YBRNATIEYPVMDD-UHFFFAOYSA-N	229.276	1.764	0	30	BDAC	
CCN(CC)C(=O)c1ccc(N)c(N)c1	58267302	OCOHTLQNPZCWLF-UHFFFAOYSA-N	207.277	1.333	0	30	BDAC	
CCN1CCc2cc(OC)ccc2C1=O	39101046	PQDMPHGYCMBWID-UHFFFAOYSA-N	205.257	1.713	0	30	BDAC	
N[C@@H](C(=O)O)c1csc(Br)c1	83335955	ODZZRBXYHLGZKY-RXMQYKEDSA-N	236.090	1.595	0	30	BDAC	
CCOC(CCN(C)C1CC1)OCC	82486427	PUVHKIJIPJQPCS-UHFFFAOYSA-N	201.310	1.870	0	30	BDAC	in-vitro
CCC(=O)N[C@@H]1CCc2ccc(OC)cc2C1=O	5977768	VRUWWWJHIKQWDV-GFCCVEGCSA-N	247.294	1.719	0	30	BDAC	in-vitro
CO[C@H]1CN(Cc2ccccc2)C[C@@H]1OC	21984490	OBIZVDKPKSFVQY-STQMWFEESA-N	221.300	1.532	0	30	BDAC	
O=S1(=O)C=C(C(F)(F)F)CCC1	675050894	YWXBSFMFEKVJJF-UHFFFAOYSA-N	200.181	1.641	0	30	BDAC	
CC(C)COCC(O)COCC(C)C	5759361	NUYSFVDIFREUIM-UHFFFAOYSA-N	204.310	1.693	0	30	BDAC	
Cc1c(C)c(CCN)c(C)c(C)c1CCN	5764969	QIQFBRQQQBFQBX-UHFFFAOYSA-N	220.360	1.923	0	30	BDAC	
CN(C)CCOC[C@@H](O)c1ccc(F)cc1	33898766	CXNQKWMWNRGTNN-GFCCVEGCSA-N	227.279	1.437	0	30	BDAC	
C[C@H](C(=O)O)c1cnn(C)c1C(F)(F)F	83306711	NRFGXKHNYRKRNX-BYPYZUCNSA-N	222.166	1.627	0	30	BDAC	
O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccno1	146665	NANYFSLJLBFCSI-UHFFFAOYSA-N	244.206	1.597	0	30	BDAC	
O=C(O)[C@H]1CCC[C@](O)(C(F)(F)F)C1	107470670	QNRPSENATFLRMF-CAHLUQPWSA-N	212.167	1.555	0	30	BDAC	
CCOC(=O)[C@@H]1CCc2cccnc2C1=O	59859799	ZQSOTSIQDYPBMQ-SECBINFHSA-N	219.240	1.390	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]2(N)CC1	1554770427	RLKQLFDFQMMVLZ-BXKDBHETSA-N	226.320	1.735	0	30	BDAC	
CCOC(=O)c1cn[nH]c1-c1ccoc1	40435066	CEOKPOBBMCBNGJ-UHFFFAOYSA-N	206.201	1.846	0	30	BDAC	
CCOC(=O)C1=CC=CN2C(Cl)=CN[C@H]12	100057695	DKBXSZXCQBIZDE-VIFPVBQESA-N	226.663	1.272	0	30	BDAC	
CC(C)(C)OC(=O)N1CCSC[C@H]1CCN	71478976	TXMOKDKDMIRWPN-SECBINFHSA-N	246.376	1.688	0	30	BDAC	
CCOC(=O)C[C@@H]1COc2c(O)cccc21	261034759	GOGPFFFBUGOIRB-MRVPVSSYSA-N	222.240	1.821	0	30	BDAC	
C/C=C/[C@H]1Oc2ccc(C)cc2C(=O)[C@@H]1O	100317789	XVYLLEWVKFEVOT-NAGRZINJSA-N	218.252	1.876	0	30	BDAC	
CC1=NNC(=O)[C@@H]1Cc1ccc(F)cc1	100397373	CMQRGDDLJYEVDF-SNVBAGLBSA-N	206.220	1.490	0	30	BDAC	
N#Cc1c(C(=O)O)nn(-c2ccc(F)cc2)c1N	72232966	HLQYBFQZQCAZDZ-UHFFFAOYSA-N	246.201	1.163	0	30	BDAC	
NCc1cc(N)cc(Br)c1	82638865	XNMXDYJDFWSWIR-UHFFFAOYSA-N	201.067	1.490	0	30	BDAC	
NCc1noc(-c2ccc(Cl)cc2F)n1	41052062	NLAAQJOBFHNDBT-UHFFFAOYSA-N	227.626	1.988	0	30	BDAC	
COC(=O)c1cc(O)c2c(c1)NCCC2	238385987	WUNOAAAQHJMRGL-UHFFFAOYSA-N	207.229	1.537	0	30	BDAC	
CCOC(=O)[C@@H](C(C)=O)[C@@H]1CCCC1=O	584879909	SWKXEGKWOQENLT-SCZZXKLOSA-N	212.245	1.124	0	30	BDAC	
COC(=O)c1cc(N)c(Cl)cc1NC(C)=O	616583015	UHFOPIQIMXYLOZ-UHFFFAOYSA-N	242.662	1.667	0	30	BDAC	
CC1(C)CN[C@@H](CNC(=O)OC(C)(C)C)C1	694121627	IHHDRBXQECMVER-SECBINFHSA-N	228.336	1.899	0	30	BDAC	
CC(=O)N1C(=O)NC(=O)[C@]12CCCC[C@H]2C	6030868	IAEOUKDLBPACNG-RDDDGLTNSA-N	224.260	1.034	0	30	BDAC	
NC[C@@H]1CCN(c2ccc(F)cc2F)C1	11891746	NRJLPUYDGBNNEN-QMMMGPOBSA-N	212.243	1.750	0	30	BDAC	
CC(=S)n1c(=O)[nH]c2ccc(F)cc21	39124919	WNRSLNIDANBRQX-UHFFFAOYSA-N	210.233	1.664	0	30	BDAC	
CCOc1cncc(Br)n1	44119867	RQLZSRJQNYADCV-UHFFFAOYSA-N	203.039	1.638	0	30	BDAC	
COC(=O)c1ccc([C@@H]2CCCN2)s1	238402116	DPUGWQFBYPFMQG-ZETCQYMHSA-N	211.286	1.959	0	30	BDAC	
C[C@]1(C2CCCCC2)OC[C@H](CO)O1	95810980	MNGGBXINICRUAP-QWRGUYRKSA-N	200.278	1.691	0	30	BDAC	
Cc1cc(C(F)(F)F)nc(C(=O)O)n1	238496233	ZCEQRFYPMKZYHU-UHFFFAOYSA-N	206.123	1.502	0	30	BDAC	in-vitro
CC(C)(C)O[C@@H]1C[C@H](N)[C@@H]1n1cccn1	299805448	OPUNPWADWNJUEF-AEJSXWLSSA-N	209.293	1.339	0	30	BDAC	
O=C1CCc2c(C(F)(F)F)n[nH]c2C1	95642236	QCESNNSBACZNLW-UHFFFAOYSA-N	204.151	1.486	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CN)CC[C@H]2C1	211788368	GBPFKXPJCJSCBK-VWYCJHECSA-N	240.347	1.838	0	30	BDAC	
CN(C)C=C1C(=O)ON=C1c1ccccc1	6226351	SAAHHEOMOHOCNQ-UHFFFAOYSA-N	216.240	1.393	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]2C[C@H]2C1	84310691	YLHSUKDRBRKUDQ-XHNCKOQMSA-N	213.277	1.234	0	30	BDAC	
CO[C@]1(c2nc(Br)no2)CCOC1	307099086	WPEKSPSGQVCYFT-SSDOTTSWSA-N	249.064	1.094	0	30	BDAC	
CNCc1ccnn1Cc1ccccc1	70631635	BNDWLEBUBYMZQH-UHFFFAOYSA-N	201.273	1.651	0	30	BDAC	
CC(=O)Nc1ccc(C2=CS[C@H](N)O2)cc1	96328106	KXLVVVLDWQJMAQ-LLVKDONJSA-N	236.296	1.949	0	30	BDAC	
COCc1nc(C(=O)O)c2n1CCCC2	258361015	ROYHJHJZDYJJDF-UHFFFAOYSA-N	210.233	1.064	0	30	BDAC	
CN(C)C(=O)Sc1cccc(CO)c1	95348163	CZSOYLDJCWKYRP-UHFFFAOYSA-N	211.286	1.953	0	30	BDAC	in-vitro
COC(=O)[C@H](c1ccccc1)C1CNC1	216206900	UCVCYRMAFCPAGF-LLVKDONJSA-N	205.257	1.163	0	30	BDAC	
COC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1C21CC1	710030458	DOCTYGRGGTZHAB-FNCVBFRFSA-N	222.240	1.072	0	30	BDAC	
CC(C)(C)NC(=S)N1CCSCC1	100138	AKSOJLYKSLERQH-UHFFFAOYSA-N	218.391	1.708	0	30	BDAC	
CC(C)[C@@H](N)c1ccc2[nH]c(=O)oc2c1	36892089	BDMUXSVRPSRJCU-SNVBAGLBSA-N	206.245	1.777	0	30	BDAC	in-vitro
CCOC(=O)[C@H]1C[C@]1(CC)CCCO	39100634	OUBXOBPUTXVVRG-KOLCDFICSA-N	200.278	1.738	0	30	BDAC	
CC(C)(C)OC(=O)NCc1cc(N)no1	1535956406	UMXWFJPNNHNPFN-UHFFFAOYSA-N	213.237	1.282	0	30	BDAC	
O=C(O)[C@@H](O)c1ccc(F)cc1Br	228821313	XOAUCLYKGZVZBD-ZETCQYMHSA-N	249.035	1.706	0	30	BDAC	
CCO[C@@H]1C=C(Br)C(=O)O1	196332729	XNYLDQSINPDYOW-YFKPBYRVSA-N	207.023	1.185	0	30	BDAC	
COC(=O)c1sccc1NC(=S)OC	13658054	JBOLEWGXBYDQNX-UHFFFAOYSA-N	231.298	1.878	0	30	BDAC	
NCc1nc(C(F)(F)F)cc(C(F)(F)F)n1	95760916	JUPLWAJBCAFCEH-UHFFFAOYSA-N	245.126	1.973	0	30	BDAC	
NC[C@H]1CCCC[C@@H]1Cc1noc(O)n1	90608917	AUUWFLGYTLJQOV-HTQZYQBOSA-N	211.265	1.083	0	30	BDAC	
O=c1[nH]c2ccc(Br)nc2[nH]1	116594948	IZKDVNRPFNMLSZ-UHFFFAOYSA-N	214.022	1.014	0	30	BDAC	
COc1ccc(C2=NC(=CN(C)C)C(=O)O2)cc1	12338592	JPSSSQNNRVVVLC-UHFFFAOYSA-N	246.266	1.402	0	30	BDAC	
COc1ccc([C@@H]2OCCN[C@H]2C)cc1	37405083	BHRUEGUXZCYUBO-JOYOIKCWSA-N	207.273	1.745	0	30	BDAC	
O=C1N[C@]2(CCN(Cc3ccccc3)C2)CO1	88532548	FIDTWWUXOPNIAZ-ZDUSSCGKSA-N	232.283	1.371	0	30	BDAC	
Cc1cccc2c1NC(O)=NS2(=O)=O	41226197	RISXVHCQQZRPFT-UHFFFAOYSA-N	212.230	1.023	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN[C@@H](C2)C1	685945559	HDVSCPQXGLYSFG-GUBZILKMSA-N	226.320	1.652	0	30	BDAC	
C[C@H]1CN=C(c2cccc(C3=NC[C@H](C)O3)n2)O1	220545025	TURHBXWGKUUEDH-IUCAKERBSA-N	245.282	1.412	0	30	BDAC	
NC(=O)N1CC[C@H](Oc2ccccc2)C1	335478820	NTEHTURFUOLMPI-JTQLQIEISA-N	206.245	1.218	0	30	BDAC	
COC(=O)c1c(C)nn2ccc(O)cc12	261182127	FQEYCVFFRLYAMQ-UHFFFAOYSA-N	206.201	1.135	0	30	BDAC	
CCOC(=O)[C@H]1C=CO[C@@H](OCC)C1	39098933	JCSMBIJZNNYSBY-DTWKUNHWSA-N	200.234	1.462	0	30	BDAC	
CCn1c(C(=O)O)cnc1Br	76647161	CEIAXWJPXMVMOC-UHFFFAOYSA-N	219.038	1.364	0	30	BDAC	
O=S1(=O)NCc2cc(Cl)ccc21	6094038	JHBBXDBLGMVVBK-UHFFFAOYSA-N	203.650	1.132	0	30	BDAC	
CC(=O)N(C)[C@@H]1OC(=O)C(Cl)=C1Cl	39127377	NWACKVQRVKVMBL-ZCFIWIBFSA-N	224.043	1.037	0	30	BDAC	
COC(=O)c1cc(Cl)nc(C(=O)O)c1	95761834	VHOQJZFBBKEBQN-UHFFFAOYSA-N	215.592	1.220	0	30	BDAC	
O=C(ON=Cc1cccc([N+](=O)[O-])c1)C1CC1	254292249	IPKWZAYYRGUZMQ-UHFFFAOYSA-N	234.211	1.882	0	30	BDAC	
CCCNc1ccc(S(C)(=O)=O)cc1	19917606	LZUFFQOZDFKSQR-UHFFFAOYSA-N	213.302	1.912	0	30	BDAC	
CC(C)[C@H](N)c1ccc2[nH]c(=O)oc2c1	36892088	BDMUXSVRPSRJCU-JTQLQIEISA-N	206.245	1.777	0	30	BDAC	in-vitro
COc1ccc(OC)c(C(=O)[C@H](C)N)c1	58327366	VSMILISQVUOHED-ZETCQYMHSA-N	209.245	1.234	0	30	BDAC	
O=C1CCN(c2ccc(F)cc2)C(=O)C1	86475943	BKYONKYTNFWZPS-UHFFFAOYSA-N	207.204	1.522	0	30	BDAC	
COc1ccc(OC)c(SCC(=O)O)c1	131964	WLMYLHHXANUZIH-UHFFFAOYSA-N	228.269	1.881	0	30	BDAC	
COC(=O)[C@@H](N)Cc1ccc(F)cc1F	22002455	WTDVYINTUREYJH-VIFPVBQESA-N	215.199	1.008	0	30	BDAC	
COC(=O)c1cnc(C(C)(OC)OC)s1	1535645492	GMNXSOROAOJXSC-UHFFFAOYSA-N	231.273	1.395	0	30	BDAC	
C[C@@]1(c2cccs2)OC[C@@H](CO)O1	2037904	HOANEJPRHBZMAR-VXNVDRBHSA-N	200.259	1.329	0	30	BDAC	
Cc1nc(C2CCOCC2)nc(C)c1C(=O)O	87812174	NXNKJRLLJICCRE-UHFFFAOYSA-N	236.271	1.686	0	30	BDAC	
COCCc1nnc(Br)s1	71051674	MIXUTXWGSDLIBI-UHFFFAOYSA-N	223.095	1.490	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CNC[C@@H]21	701671047	AAGNVQRRGGYPFE-GUBZILKMSA-N	226.320	1.367	0	30	BDAC	
CCc1nnc2n1Nc1n[nH]c(C)c1S2	211696206	LECFWXXCLNFMCR-UHFFFAOYSA-N	222.277	1.212	0	30	BDAC	
COC(=O)c1ccc(NCC2CC2)nc1	309246179	ZFEDDCJPRGNMSZ-UHFFFAOYSA-N	206.245	1.690	0	30	BDAC	
O=C1CSc2nnc(-c3ccccc3)n21	1036546	TVXVGBPZOQGWFR-UHFFFAOYSA-N	217.253	1.691	0	30	BDAC	
CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O	3647584	PANAMPMZPUJRLL-LLVKDONJSA-N	243.266	1.261	0	30	BDAC	
CCOC(=O)c1cccc(CSC(=N)N)c1	4377455	CGHDETYNZVLVTG-UHFFFAOYSA-N	238.312	1.990	0	30	BDAC	
CCOC1(OCC)CC[C@H]1/C=C/CO	39098928	KIOXMAVHGXJEHQ-BRAIEQGRSA-N	200.278	1.714	0	30	BDAC	
OCC(F)(F)c1ccc(Br)nc1	1536091731	LUZQRXWOKPNLBE-UHFFFAOYSA-N	238.031	1.928	0	30	BDAC	
O=C(CCl)[C@@H]1CC[C@@H]2CC[C@H](O)C[C@H]21	32147582	UGZFMOUIJAVIJS-AXTSPUMRSA-N	216.708	1.982	0	30	BDAC	
CC(C)Cc1ccc(S(N)(=O)=O)s1	71602917	RGMLDWRBTCYHDE-UHFFFAOYSA-N	219.331	1.594	0	30	BDAC	
CN1CCCC[C@H]1c1noc2c1CCN2	3704121	ZGOVRKIEOHBGDF-VIFPVBQESA-N	207.277	1.799	0	30	BDAC	
COc1cc(C)cc(N2CCNCC2)c1	106886577	YDMPRTZQFMHRDK-UHFFFAOYSA-N	206.289	1.413	0	30	BDAC	
CC1(C)C[C@H](N)CN1Cc1ccccc1	115447320	RCVCYZIOOMXPOP-LBPRGKRZSA-N	204.317	1.998	0	30	BDAC	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](CCN)O1	687762677	DUXPNWAYHPWSLH-UWVGGRQHSA-N	244.335	1.360	0	30	BDAC	
CCN1CCC(OC(=O)c2ccc(N)cc2)CC1	33875355	VMCHTHYDYKAPMS-UHFFFAOYSA-N	248.326	1.910	0	30	BDAC	
CC(=O)c1nc(N)sc1Br	213375849	WTSMYLCLTMECRM-UHFFFAOYSA-N	221.079	1.690	0	30	BDAC	
COC(=O)[C@@H]1[C@H](C)N1C(=O)OCc1ccccc1	38284898	GYSSOABOJGIPEA-PEVUIOCQSA-N	249.266	1.569	0	30	BDAC	
COC(=O)c1ccc(-c2c[nH]c(=O)[nH]2)cc1	42750024	CPCUVLMJMCCJPF-UHFFFAOYSA-N	218.212	1.157	0	30	BDAC	
CCOC(=O)/C=C/[S@](=O)c1ccccc1	5650494	CSHWPMGIWDFXRH-XVJNWHFHSA-N	224.281	1.871	0	30	BDAC	
CCCN1CCC=C(c2nnn(CC)n2)C1	13739803	FLHLXHPQWIUQNP-UHFFFAOYSA-N	221.308	1.192	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2[C@H]1[C@@H]2C(=O)O	669378726	OAWYKFJBXIBPCC-JQCXWYLXSA-N	241.287	1.620	0	30	BDAC	
COc1ccc(CN[C@H](CO)C(C)C)cc1	82685197	HWHMWXAXIFUCRV-CYBMUJFWSA-N	223.316	1.802	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CCc2ocnc2C1	306326621	IWFHXOIXQGMFIS-UHFFFAOYSA-N	224.260	1.968	0	30	BDAC	
NS(=O)(=O)c1ccc(CC(F)(F)F)cc1	189238699	UNKSGTOYOMEYSO-UHFFFAOYSA-N	239.218	1.439	0	30	BDAC	
NC(=S)c1ncoc1-c1ccccc1	1535643267	FTPLTLMVTDUQIS-UHFFFAOYSA-N	204.254	1.976	0	30	BDAC	
O=S1(=O)CCCN1Cc1ccccc1	57496570	TZKMAPDWYRGEOB-UHFFFAOYSA-N	211.286	1.222	0	30	BDAC	
COC(=O)C(C)(C)C(=O)[C@@H](C)Br	141750620	HYCVVIHRSINHDF-RXMQYKEDSA-N	237.093	1.538	0	30	BDAC	in-vitro
O=C(C=Cc1ccccc1)NC1=NCCS1	2265233838	SLIMEDXLIOBFBM-UHFFFAOYSA-N	232.308	1.919	0	30	BDAC	
O=C1CCN2C(=O)OCc3cccc1c32	34345836	CJCAYZAFFOFWCS-UHFFFAOYSA-N	203.197	1.730	0	30	BDAC	
CC(C)(C)B(O)OC(C)(C)C(C)(C)O	200311654	BYTBUOLUJUMEFX-UHFFFAOYSA-N	202.103	1.833	0	30	BDAC	
O=[N+]([O-])C1=C[C@@H]2C(Cl)=NC=N[C@@H]2C=C1F	607717060	UFJXTOPXCCIMNX-UJURSFKZSA-N	229.598	1.678	0	30	BDAC	
O=C1CCCN1c1cnc(Br)cn1	44118199	NFTRIXVTYIJOHF-UHFFFAOYSA-N	242.076	1.366	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1C[C@@]2(C(=O)O)CC[C@H]1C2	253185249	PPLYOBSEWYKGDC-QPUJVOFHSA-N	241.287	1.861	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(C[C@H](F)C(=O)O)C1	585142690	ZGRUYFLGGVTSHQ-QMMMGPOBSA-N	247.266	1.666	0	30	BDAC	
CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)O	2391854	FOPALECPEUVCTL-MRVPVSSYSA-N	241.287	1.067	0	30	BDAC	
C[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12	15205518	FBWQLTARTKWGMT-SRQGCSHVSA-N	244.287	1.403	0	30	BDAC	
CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(CO)C1	536948267	BPQDFEAZIMHEIB-CABZTGNLSA-N	245.319	1.393	0	30	BDAC	
c1cncc(N2CC[C@]3(C[C@H]4CCN3C4)C2)c1	223621927	QTFANGXLYPOILI-OCCSQVGLSA-N	229.327	1.756	0	30	BDAC	
CCOP(=O)(C[S@](C)=O)OCC	34619847	AOXOMZRWXATGKP-GFCCVEGCSA-N	214.223	1.589	0	30	BDAC	in-vitro
C[C@H]1CNC[C@@H]1CNC(=O)OC(C)(C)C	39093815	CEFJWUXTHLISAP-DTWKUNHWSA-N	214.309	1.367	0	30	BDAC	
NCc1cnc(Cc2ccccc2O)s1	259259116	OFKNSGSMEKINQQ-UHFFFAOYSA-N	220.297	1.898	0	30	BDAC	
CC(C)(C)OC(=O)Nc1cc(C(N)=O)no1	238853341	JDWGIYVFHLDBBV-UHFFFAOYSA-N	227.220	1.121	0	30	BDAC	
O=C(O)c1noc(-c2cc(F)cc(F)c2)n1	71047853	UNHVZQFUDJYAES-UHFFFAOYSA-N	226.138	1.713	0	30	BDAC	in-vitro
Nc1ccc(S(=O)(=O)O)c2ncccc12	39140374	AFVRYMPIZFJJIL-UHFFFAOYSA-N	224.241	1.064	0	30	BDAC	
CCCCNC(=O)CC[C@H](C)NC(=O)CCC	33884942	ZTQOIIBCRDNYKC-NSHDSACASA-N	242.363	1.988	0	30	BDAC	
O=C(O)c1ccc(N2C[C@@H]3CC[C@H](C2)O3)cc1	90906442	JWCLVRMDDQQZRW-TXEJJXNPSA-N	233.267	1.752	0	30	BDAC	
O=C(O)C1=Cc2c(Cl)ncnc2NCC1	95803708	BNJGCLYFBZZPHB-UHFFFAOYSA-N	225.635	1.414	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2C(N)[C@@H]2CC1	84233030	UHQBDBQLFKCXAA-RKDXNWHRSA-N	226.320	1.591	0	30	BDAC	
O=C1NCCCn2nc(-c3ccncc3)cc21	144992882	NDJVNAZPIVULTJ-UHFFFAOYSA-N	228.255	1.079	0	30	BDAC	
CSc1[nH]nc(N)c1-c1ccccn1	1041358	QWOOPSGRIRRXJQ-UHFFFAOYSA-N	206.274	1.776	0	30	BDAC	
O=c1cc[nH]c2c(-c3ccccc3)cnn12	27706242	JOTHMOILBBJUQM-UHFFFAOYSA-N	211.224	1.690	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C12CCC2	306788185	WXGBLIVTVFWNQT-RKDXNWHRSA-N	227.304	1.815	0	30	BDAC	
O=c1[nH]cc(-c2ccccc2)n2cncc12	89195585	KQYZDNQSWGIAAQ-UHFFFAOYSA-N	211.224	1.690	0	30	BDAC	
CC1(C)C(=O)N[C@H]1c1nccn1C1CC1	711745428	HJWLTXSMZJKWCB-QMMMGPOBSA-N	205.261	1.415	0	30	BDAC	
COC(=O)[C@H]1C(C=C(C)C)[C@@H]1C(=O)OC	142436427	HNTGAUJHBZUCRH-IUCAKERBSA-N	212.245	1.161	0	30	BDAC	
CC[C@@H](CC(=O)OC)NC(=O)OC(C)(C)C	36532530	OWCUZDDUVCLVIV-QMMMGPOBSA-N	231.292	1.853	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)NC1CCC(C(N)=O)CC1	82389410	HILAGAFOXBPCFN-UHFFFAOYSA-N	242.319	1.555	0	30	BDAC	
CNCc1ncc(Br)s1	83883369	BOIDPIKRQONHLW-UHFFFAOYSA-N	207.096	1.625	0	30	BDAC	
O=C(O)c1ccnc(-c2cccnc2)n1	54792696	BYTAVCJXLYDPDY-UHFFFAOYSA-N	201.185	1.237	0	30	BDAC	
NNc1cc(CO)ccc1Br	238579697	JFGMHLARPVRIAF-UHFFFAOYSA-N	217.066	1.227	0	30	BDAC	
O=C1CC[C@H](C(=O)O)c2ccccc2N1	148401606	OGRMVNGOKYWTMR-QMMMGPOBSA-N	205.213	1.587	0	30	BDAC	
CCc1nnc([C@]23CCC[C@H]2CNC3)o1	685945738	GJVAVBOMNKSZEY-KWQFWETISA-N	207.277	1.273	0	30	BDAC	
Cc1cccc2nc([C@@H]3CNCCO3)cn12	82974629	VQXYVKULVLMAMW-NSHDSACASA-N	217.272	1.304	0	30	BDAC	in-vitro
CCOC(=O)c1scc(N)c1OC	39084925	MGXQASFEMOHCCA-UHFFFAOYSA-N	201.247	1.516	0	30	BDAC	
COc1cccc(CN)c1Br	84482348	VYFKFVLTBBXGPG-UHFFFAOYSA-N	216.078	1.916	0	30	BDAC	
NC1(c2cccc(Br)n2)CC1	83298051	BAEAFXDAFMBZRR-UHFFFAOYSA-N	213.078	1.792	0	30	BDAC	
O=Cc1cc(Br)cc(F)n1	95762278	NRDLPXWQROUDLK-UHFFFAOYSA-N	203.998	1.796	0	30	BDAC	
Cc1ccc(CN2CCC(C(=O)O)CC2)o1	8727484	DKECWSZPVDOZTF-UHFFFAOYSA-N	223.272	1.885	0	30	BDAC	
CC(C)(C)OC(=O)NCC[C@@]1(C)CCNC1	258152031	HEKZUYBSSLTJNY-GFCCVEGCSA-N	228.336	1.901	0	30	BDAC	
COC(=O)N1CCc2nccc(Cl)c2C1	958632307	DNNOFCYZMUVROS-UHFFFAOYSA-N	226.663	1.860	0	30	BDAC	
Cc1ccccc1C12CNCC(CO)(C1)C2	2265383733	YZDGNVAQJXHWFQ-UHFFFAOYSA-N	217.312	1.609	0	30	BDAC	
COC(=O)c1cnn(CC(=O)OC(C)(C)C)c1	260826643	MKXLXZLYINUXPZ-UHFFFAOYSA-N	240.259	1.011	0	30	BDAC	
CN1CCN(c2n[nH]c3ccccc23)CC1	13498	QEGQWEDKMMRTLW-UHFFFAOYSA-N	216.288	1.315	0	30	BDAC	
c1nc2c(n1C1CCNCC1)CCCC2	76092188	CZTVXFJDQMVNIF-UHFFFAOYSA-N	205.305	1.686	0	30	BDAC	
FC(F)(F)c1c[nH]c([C@H]2CCCNC2)n1	36876346	AQRVZTOQDFOBGJ-LURJTMIESA-N	219.210	1.896	0	30	BDAC	in-vitro
CONC1CCN(C(=O)OC(C)(C)C)CC1	134184682	FMRUAWTVVALMHY-UHFFFAOYSA-N	230.308	1.537	0	30	BDAC	
CCOC(=O)[C@@H](N)Cc1ccc(CC)cn1	95921892	OYRIIZURMIGLQG-NSHDSACASA-N	222.288	1.077	0	30	BDAC	
CS(=O)(=O)c1nc(Br)cs1	72192301	WYDMVBLJOSZWLJ-UHFFFAOYSA-N	242.119	1.309	0	30	BDAC	in-vitro
CCOC(=O)C1=C(C(=O)OCC)CCC1	958719665	WACLHMCDBDBKEM-UHFFFAOYSA-N	212.245	1.593	0	30	BDAC	
COc1c(F)cncc1Br	214980484	DGFFRTDBUSTTFC-UHFFFAOYSA-N	206.014	1.992	0	30	BDAC	
O=C(O)C(F)(F)c1csnc1Cl	2265385728	KHVMCDZIRUUUML-UHFFFAOYSA-N	213.592	1.973	0	30	BDAC	
COc1ccc2c(C(=O)O)nccc2c1	74209024	HKWKVZRIFSAVLQ-UHFFFAOYSA-N	203.197	1.942	0	30	BDAC	
COC(=O)C(=CN(C)C)c1ccccc1	4039472	UTMZHSWEBBBOKY-UHFFFAOYSA-N	205.257	1.762	0	30	BDAC	
COC(=O)C[C@@H](N)c1cc(OC)cc(OC)c1	20577457	ILMPFVTZJSNUHY-LLVKDONJSA-N	239.271	1.267	0	30	BDAC	
CC1(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)N=N1	139688710	OMAJGFBHQOFABU-LURJTMIESA-N	243.263	1.536	0	30	BDAC	
Cc1ccccc1[C@]1(C)OC[C@H](CO)O1	2037892	RRJZBWCMQLDFRF-CMPLNLGQSA-N	208.257	1.575	0	30	BDAC	
CN1CCC[C@@](O)(c2ccccc2)C1=O	5966485	VKGJAXYNMXZOPP-GFCCVEGCSA-N	205.257	1.126	0	30	BDAC	
NC1[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]12	148574802	UABVNKBYOZUUCV-GHMZBOCLSA-N	232.283	1.212	0	30	BDAC	
Nc1ccc(N2CCSCC2)c([N+](=O)[O-])c1	390115799	CHRMFYCWCXLLBI-UHFFFAOYSA-N	239.300	1.730	0	30	BDAC	
COC(=O)c1ccc(CNC(=O)C2CC2)nc1C	95347576	CKIWJAIJOOHLRA-UHFFFAOYSA-N	248.282	1.203	0	30	BDAC	in-vitro
CC[C@@H]1SC[C@@H](C(=O)OC)/C1=N/O	39085322	RUCXHNGFLVBCSH-BQYHWIFMSA-N	203.263	1.131	0	30	BDAC	
C[C@H](CS(N)(=O)=O)c1cccc(F)c1	258783189	GECLCEKRULIFPA-SSDOTTSWSA-N	217.265	1.218	0	30	BDAC	
CC[C@]1(CCC(C)C)OC[C@@H](CO)O1	5651333	HNGJBTVYNSPFPZ-MNOVXSKESA-N	202.294	1.937	0	30	BDAC	
COC(=O)C12CC(c3ccccc3)(CN1)C2	2265384755	UJTLYZTWVNELND-UHFFFAOYSA-N	217.268	1.233	0	30	BDAC	
COC(=O)[C@H]1CCC(=O)N1Cc1ccccc1	11727257	FPJQSGNPXDLFTM-LLVKDONJSA-N	233.267	1.351	0	30	BDAC	
COC(OC)[C@@H](O)c1ccc(F)c(F)c1	84990338	GAUYJXCDJWWILB-VIFPVBQESA-N	218.199	1.617	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)[C@@]1(C(F)(F)F)CCNC1	82557201	WKEARQZAEMUMLL-SECBINFHSA-N	239.237	1.870	0	30	BDAC	
C[C@@H]1CNC[C@@]1(C)CNC(=O)OC(C)(C)C	238854804	PLLIFPFHFHXRNX-SKDRFNHKSA-N	228.336	1.757	0	30	BDAC	
O=C(c1ccccn1)c1ncc(CO)s1	536559851	ILHBOUYSOYRCEH-UHFFFAOYSA-N	220.253	1.261	0	30	BDAC	
CC[C@H](O)C[S@](=O)(=S)c1ccc(C)cc1	96328942	KYPZPMVQOKYOJF-BONVTDFDSA-N	244.381	1.871	0	30	BDAC	
C[C@@H](O)CNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	102934220	XKFOGPZJONXOKW-XFWSIPNHSA-N	228.361	1.020	0	30	BDAC	
CCOC(=O)C1(C(=O)OCC)CCCCO1	39241774	RNQHWRAYLVPEGV-UHFFFAOYSA-N	230.260	1.052	0	30	BDAC	
COC(=O)c1cc(Cl)cc2ccnn12	238359373	FTRKEDDPUSQSIG-UHFFFAOYSA-N	210.620	1.774	0	30	BDAC	
CCOc1ccc(C2(O)CC(C(=O)O)C2)cc1	95616721	ZMGXPYKZGONJTL-UHFFFAOYSA-N	236.267	1.768	0	30	BDAC	
COc1c(N2CCNCC2)ccc(F)c1F	216538571	BMAHRDPHGJQSHM-UHFFFAOYSA-N	228.242	1.383	0	30	BDAC	
CN1CCN(c2cncc(Cl)c2)CC1	144878598	BSLASFXFWLBNMK-UHFFFAOYSA-N	211.696	1.487	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2CCCN[C@@H]2C1	82327502	ZWEWOQJWNGDMHO-GHMZBOCLSA-N	240.347	1.995	0	30	BDAC	
Oc1nnc2c(c1C(F)(F)F)CCC2	8855843	OGPUKTLVBKZHJC-UHFFFAOYSA-N	204.151	1.690	0	30	BDAC	in-vitro
COc1cccc2c1[C@H](C(=O)O)CC2=O	57493632	WOBDKXYPNQHXPL-SSDOTTSWSA-N	206.197	1.450	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H]1CCCO1	228399718	KUUAEAFMDBFLMY-SFYZADRCSA-N	245.275	1.143	0	30	BDAC	
CC(C)(C)OC(=O)NC12CC(C(=N)NO)(C1)C2	708335050	VEVCBIUEAFIONO-UHFFFAOYSA-N	241.291	1.390	0	30	BDAC	
CNCc1ccccc1Cn1cncn1	12370354	VHDVEBIJXKJALO-UHFFFAOYSA-N	202.261	1.046	0	30	BDAC	in-vitro
CCOC(=O)c1ccc2ccc(=O)[nH]c2c1	34464463	NXRFVRONBKNTDI-UHFFFAOYSA-N	217.224	1.705	0	30	BDAC	
CCCN[C@H]1CCc2c(sc(=N)n2C)C1	100273052	LATIAHVBSFSIDL-QMMMGPOBSA-N	225.361	1.423	0	30	BDAC	
C[S@](=O)Nc1ccc(F)c(C(=O)O)c1	307594132	IGRPJVZLUIJYTC-AWEZNQCLSA-N	217.221	1.229	0	30	BDAC	
CO[C@H]1CN[C@@](C)(CNC(=O)OC(C)(C)C)C1	536948284	PTQMQCURMJQIIV-BXKDBHETSA-N	244.335	1.278	0	30	BDAC	
CC(C)(C)OC(=O)NC(=O)[C@H]1CCCCN1	14657904	KIZBVHDOAPBRLH-MRVPVSSYSA-N	228.292	1.180	0	30	BDAC	
CCOC(=N)S(=O)(=O)c1ccccc1	96328262	WEFFTTVBFVTAIG-UHFFFAOYSA-N	213.258	1.432	0	30	BDAC	
CNCC1(NC(=O)OC(C)(C)C)CCC1	257991053	OCTOVKLXQBEOMV-UHFFFAOYSA-N	214.309	1.653	0	30	BDAC	
C[C@H](N)[C@H](O)Cc1cccc(Br)c1	96985927	SEWGHWTYHOOGIV-OIBJUYFYSA-N	244.132	1.700	0	30	BDAC	
COc1cc(O)c(Br)cc1O	142060632	UULJVMWZTSKTGG-UHFFFAOYSA-N	219.034	1.869	0	30	BDAC	
CN1CCC(Nc2ccc(N)nc2)CC1	37267281	IVEXFEPCBNUHGE-UHFFFAOYSA-N	206.293	1.170	0	30	BDAC	
O=C(O)c1cc(Br)sn1	116733839	MMNLXTLLKYNGSQ-UHFFFAOYSA-N	208.036	1.604	0	30	BDAC	
COC(=O)[C@H]1CCCN1Cc1ccco1	14989067	SDPWLPVYRUPJTL-SNVBAGLBSA-N	209.245	1.417	0	30	BDAC	
Clc1ccccc1Cc1nnc2n1CCNC2	53709612	LGHFCYWBVKJPCV-UHFFFAOYSA-N	248.717	1.626	0	30	BDAC	
CNC[C@H]1OCCN(C)[C@@H]1c1ccccc1	69797537	HSRFSSLZCICRJK-CHWSQXEVSA-N	220.316	1.278	0	30	BDAC	
COC(=O)[C@@H]1CS[C@H](c2ccccc2)N1	34364726	SGFAUQHDEFHPAQ-VHSXEESVSA-N	223.297	1.563	0	30	BDAC	
O=S(=O)(O)CC(Cl)=C(Cl)Cl	34065055	GLDBPELSAPUAFU-UHFFFAOYSA-N	225.480	1.760	0	30	BDAC	
COc1cc(C(=O)O)c(C)c(C(=O)O)c1	238358658	LAPBTRNTNOINKZ-UHFFFAOYSA-N	210.185	1.400	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(C(=O)O)C[C@@H]12	238107560	ZDKMDPPQMCOHEX-JOAULVNJSA-N	241.287	1.764	0	30	BDAC	
OC[C@@H]1O[C@@H]1c1ccc(Br)cc1	34227225	NFJNOLUOXBCBDP-DTWKUNHWSA-N	229.073	1.881	0	30	BDAC	
CC(=O)Nc1c(C)cc(OC(C)=O)cc1N	39110413	VWLOUMQHWJKUCL-UHFFFAOYSA-N	222.244	1.461	0	30	BDAC	
CN1C[C@H](N)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	33986342	KGUBZNRUCSWDAU-MPKXVKKWSA-N	241.338	1.839	0	30	BDAC	
c1ccc(CN2C[C@@H]3CNCC[C@@H]32)cc1	84238093	IKSVZAZIOXSKBR-STQMWFEESA-N	202.301	1.480	0	30	BDAC	
CCNS(=O)(=O)c1ccc(N)cc1Cl	20554800	NUFGISAWONJDLQ-UHFFFAOYSA-N	234.708	1.220	0	30	BDAC	
COc1ccc(NN)c(C(F)(F)F)c1	117295688	RLJQURPXOGQZSR-UHFFFAOYSA-N	206.167	2.000	0	30	BDAC	
O=Cc1ccc(COC(=O)CCC(=O)O)o1	309340518	WVHKXKPCQCDNDM-UHFFFAOYSA-N	226.184	1.000	0	30	BDAC	
O=C(O)/C(Br)=C/Br	39367113	AZAFGYLHYXBSMI-UPHRSURJSA-N	229.855	1.702	0	30	BDAC	
CNC(=O)COc1nc2ccccc2s1	45237269	ZHSIGCXWXKSINK-UHFFFAOYSA-N	222.269	1.421	0	30	BDAC	
CCOC(=O)CO[C@H](C)C(F)(F)F	85421014	MEJDWIQOVZDQPV-RXMQYKEDSA-N	200.156	1.517	0	30	BDAC	
CC1(C)CNCc2nnc(C(F)(F)F)n21	40434617	QIWPQNRZCNMWQG-UHFFFAOYSA-N	220.198	1.135	0	30	BDAC	
O=C(O)c1nc(Br)n2c1CCCC2	214457304	QSRDYGUJFPKCDA-UHFFFAOYSA-N	245.076	1.680	0	30	BDAC	
NC[C@@H](O)COc1c(Cl)cccc1Cl	139845	PAPWJBABWJBENM-ZCFIWIBFSA-N	236.098	1.692	0	30	BDAC	
O=C1O[C@]2(CC[C@H](C(=O)O)CC2)c2ccncc21	2265339950	WKGDDMKDIRTPTG-XCSCGOTBSA-N	247.250	1.722	0	30	BDAC	
CCOC(=O)C(F)(F)c1nccs1	379420018	ZNVCWBDWIAQUGA-UHFFFAOYSA-N	207.201	1.798	0	30	BDAC	
CC12CN(C(=O)OC(C)(C)C)C(C(=O)O)(C1)C2	606289555	DHWDSOQJAYPICV-UHFFFAOYSA-N	241.287	1.861	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2C=CC[C@]2(CO)C1	104830585	VOLHNHGGWXWOLT-GXFFZTMASA-N	239.315	1.792	0	30	BDAC	
CCOc1c(Nc2ccccc2O)c(=O)c1=O	3126094	HDKRZXDIYXUOPS-UHFFFAOYSA-N	233.223	1.131	0	30	BDAC	
COC(=O)c1ccc2c(C(=O)O)c[nH]c2c1	44199091	VEMJGKMUEQKYQD-UHFFFAOYSA-N	219.196	1.653	0	30	BDAC	
Brc1cnc(Br)nn1	142605222	GAELRKDTBGDQQV-UHFFFAOYSA-N	238.870	1.397	0	30	BDAC	
Cc1cc(C(F)(F)F)c(C(=O)O)c(=O)[nH]1	1696620	UNSSLBNWWBBLEW-UHFFFAOYSA-N	221.134	1.400	0	30	BDAC	
Nc1ccccc(Br)c1=O	2008538	PIDKCMXFTVKLLV-UHFFFAOYSA-N	200.035	1.392	0	30	BDAC	
CCOC(=O)C(=O)CC(=O)C1CCCC1	61442199	AOYNIBGVQSISLX-UHFFFAOYSA-N	212.245	1.268	0	30	BDAC	
O=C(O)[C@H]1[C@H]2CC[C@@]1(c1cscn1)C2	1535644093	UQJRFGJNASFIBU-IONOHQLYSA-N	209.270	1.895	0	30	BDAC	
CC1(C)CCCc2cc(C(=O)O)c(=O)[nH]c21	84192869	RJGBHQHXBRMRCG-UHFFFAOYSA-N	221.256	1.687	0	30	BDAC	
COc1ncc(C)nc1Br	257835137	IKOWNGAIRHYCGQ-UHFFFAOYSA-N	203.039	1.556	0	30	BDAC	
CCOC(=O)[C@@H]1CCC(=O)N[C@@H]1C(F)(F)F	261133992	MXJOFEDTZYZRAR-VDTYLAMSSA-N	239.193	1.007	0	30	BDAC	
N[C@H](CCO)c1cccc(OC(F)(F)F)c1	44232892	GXJHQFQPGIMRQW-SECBINFHSA-N	235.205	1.967	0	30	BDAC	in-vitro
O[C@H]1CCCN(Cc2cnc(Cl)s2)C1	40434235	WMVYMNKGHLAHQK-ZETCQYMHSA-N	232.736	1.753	0	30	BDAC	
O=C1CC2(CCNCC2)Oc2cccnc21	145706943	ROLIVPYXNRHNOL-UHFFFAOYSA-N	218.256	1.169	0	30	BDAC	
Cc1cc(Br)c(C=O)cn1	82383452	BPFVLCHRDHHXLE-UHFFFAOYSA-N	200.035	1.965	0	30	BDAC	
CC(C)(C)c1cc2n(n1)C1=NCCN1C=N2	141552	XZGNIAAHDHCUOR-UHFFFAOYSA-N	217.276	1.374	0	30	BDAC	
O=C(Nc1ccccc1)[C@H]1C(=O)C2CCN1CC2	142451310	LSBXBFILYPDHKI-GFCCVEGCSA-N	244.294	1.288	0	30	BDAC	
NCCc1ccccc1I	38977571	YNDYXJUDBNYUBF-UHFFFAOYSA-N	247.079	1.792	0	30	BDAC	
COCCN(C)Cc1ccnc(Cl)c1	51606322	HFGDSHSIZBCXIB-UHFFFAOYSA-N	214.696	1.813	0	30	BDAC	in-vitro
O[C@@]1(C(F)(F)F)CC(c2nccs2)=NN1	1040233	XUXPVYBRELLJGR-ZCFIWIBFSA-N	237.206	1.091	0	30	BDAC	
Nc1c2c(nc3ccccc13)C[C@H](O)C[C@@H]2O	3806914	OUZJMSBCLSBRRD-CPCISQLKSA-N	230.267	1.158	0	30	BDAC	
O=C1CC[C@]2(CCC(=O)c3ccccc32)C(=O)N1	11677082	WZAIVXXKOAWTGQ-AWEZNQCLSA-N	243.262	1.338	0	30	BDAC	in-man
Cc1ccc(N)cc1-c1nnnn1C1CC1	42016007	OIWBFFMYNWPNBF-UHFFFAOYSA-N	215.260	1.566	0	30	BDAC	in-vitro
COc1ccccc1-c1cc(C=O)n[nH]1	20270498	YHPJMZNZPCOXJT-UHFFFAOYSA-N	202.213	1.898	0	30	BDAC	
CCOC(=O)NCN(Cc1ccccc1)N=O	5650610	MQYWPKJINMZAJV-UHFFFAOYSA-N	237.259	1.874	0	30	BDAC	
COC(=O)C(F)(F)c1ccc(O)cc1	95761490	QCKFOQGZSMPWON-UHFFFAOYSA-N	202.156	1.657	0	30	BDAC	
Cc1nc(N(C)C)ncc1Br	82320737	XYVGYROXVVYBGV-UHFFFAOYSA-N	216.082	1.614	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CCO[C@H](CCCN)C1	96985400	DVPLUXDEKMZVNJ-SNVBAGLBSA-N	244.335	1.361	0	30	BDAC	
COC(=O)[C@@]12C[C@@H]1CCN2C(=O)OC(C)(C)C	214705929	XNZDPPRFOSLQEL-QPUJVOFHSA-N	241.287	1.559	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CN)C[C@H]21	258168385	IDABRLUXZQGROL-IVZWLZJFSA-N	226.320	1.591	0	30	BDAC	
CS(=O)(=O)c1cccc(C2=CCNCC2)c1	22063712	JTQJRJLDKOSNJF-UHFFFAOYSA-N	237.324	1.467	0	30	BDAC	in-vitro
Clc1cncc(OC2CCNCC2)c1	81699261	BYNPKCMXCGXKNM-UHFFFAOYSA-N	212.680	1.866	0	30	BDAC	
CCOCn1nc(C)c(C[C@@H](C)C(=O)O)c1C	328579615	RMDKLJYORYQNMI-MRVPVSSYSA-N	240.303	1.757	0	30	BDAC	
CC(C)(C)OC(=O)N1CCNC(=N)CC1	84302444	QRDAUFCKARVOQT-UHFFFAOYSA-N	213.281	1.194	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CC=CC[C@H]1N	238178217	ZVLNZCWYODODPW-BDAKNGLRSA-N	212.293	1.557	0	30	BDAC	
C[C@H](O)C1(c2ccccc2)CCNCC1	6020323	KZCXJZTWPDOBTQ-NSHDSACASA-N	205.301	1.689	0	30	BDAC	
COc1ccc([C@H]2OCCN[C@@H]2C)cc1	37405084	BHRUEGUXZCYUBO-SKDRFNHKSA-N	207.273	1.745	0	30	BDAC	
CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)O)CCOC1	69551140	FBIWFNNVEHODOH-NSHDSACASA-N	245.275	1.097	0	30	BDAC	in-vitro
CCN(CC(=O)OC(C)(C)C)C1CC(N)C1	97139121	KIWXWXYXZDAELW-UHFFFAOYSA-N	228.336	1.140	0	30	BDAC	
CCC(=O)n1c(=O)[nH]c2c(C)cc(C)nc21	72233131	KOMFEFZCVSKRNN-UHFFFAOYSA-N	219.244	1.392	0	30	BDAC	
Cn1c(Cl)cnc1C(F)(F)C(=O)O	88611750	ASIQQFJQWYORFZ-UHFFFAOYSA-N	210.567	1.250	0	30	BDAC	
Cc1nc(C(C)(C)C)c(S(N)(=O)=O)s1	97053502	NZDDLDNSGUWNRF-UHFFFAOYSA-N	234.346	1.396	0	30	BDAC	
C[C@@H](CC(=O)O)CC(C)(C)CC(=O)O	96327045	UNAXSEGJPQJPSR-ZETCQYMHSA-N	202.250	1.988	0	30	BDAC	
CC(C)(C)OC(=O)CNCCCCC(=O)O	148542678	ASAGFKSDTZKBRT-UHFFFAOYSA-N	231.292	1.173	0	30	BDAC	
CN1CCN(c2nc(Cl)cc(Cl)n2)CC1	70159287	UBRWZYMADXHXCJ-UHFFFAOYSA-N	247.129	1.535	0	30	BDAC	
CCOC(=O)CCN1CCCCC1=S	38271935	HOIPUCINUKUKMN-UHFFFAOYSA-N	215.318	1.753	0	30	BDAC	
COC(=O)C[C@@H](N)c1ccc(C)cc1F	95638096	KABFMVKTHYFOEE-SNVBAGLBSA-N	211.236	1.697	0	30	BDAC	
COc1cc2oc(=O)cc(C)c2cc1N	1872059	SQSFFVYHKYAFRZ-UHFFFAOYSA-N	205.213	1.692	0	30	BDAC	in-vitro
CCOC(=O)/C=C/c1c(O)cccc1OC	82289998	ZPZKYGCBXMUSLW-BQYQJAHWSA-N	222.240	1.977	0	30	BDAC	
O=Cc1cccc2c1CCC21OCCO1	102771399	QUEMZPCJUBWWLX-UHFFFAOYSA-N	204.225	1.645	0	30	BDAC	
COc1ccc(NC(C)=O)cc1N(C)C	5137978	BYTLIWBFWDAYAE-UHFFFAOYSA-N	208.261	1.720	0	30	BDAC	
N[C@@](CF)(Cc1c[nH]c2ccccc12)C(=O)O	6117672	BZEQVHKJCVLJMC-GFCCVEGCSA-N	236.246	1.462	0	30	BDAC	
CN(C)C1CN(C(=O)OC(C)(C)C)C1	59773865	CANUZUCMZXFLTH-UHFFFAOYSA-N	200.282	1.167	0	30	BDAC	
CC(=O)N1CC[C@@H](N)c2ccc(F)cc2C1	95829690	FQGMSZLBARVVOU-GFCCVEGCSA-N	222.263	1.578	0	30	BDAC	
Brc1cnc2c(c1)OCC2	114237422	IXZPODPOQBMFIV-UHFFFAOYSA-N	200.035	1.779	0	30	BDAC	
O=S1(=O)C[C@H](N2CCCC2)c2ccccc21	63598813	HZENQEDQLWABHN-NSHDSACASA-N	237.324	1.611	0	30	BDAC	
COC(=O)[C@@H]1[C@H](CN)[C@H]1c1ccccc1	257901095	VSYSIAIKMCNUTM-GMTAPVOTSA-N	205.257	1.148	0	30	BDAC	
C[C@@H](O)c1ccncc1Br	114582842	UBVWTMPHSNWFEA-RXMQYKEDSA-N	202.051	1.897	0	30	BDAC	
O=C(O)[C@@]1(c2cccc(F)c2)C[C@@H]1CO	132805363	VZIJCFPIZIUSON-LDYMZIIASA-N	210.204	1.160	0	30	BDAC	
O=C1C=C[C@@H]2CO[C@@H](c3ccccc3)N12	34353823	GYAPIMIROZBAGG-PWSUYJOCSA-N	201.225	1.482	0	30	BDAC	in-vitro
CCc1cccc(CC)c1NC(=O)NCCO	42875713	ZBOSUEYQGPAIHG-UHFFFAOYSA-N	236.315	1.925	0	30	BDAC	
COC(=O)[C@H](C)C(=O)Cc1ccccn1	43502466	LYVIVSUHQUKZNV-MRVPVSSYSA-N	207.229	1.002	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2	685945608	FAYATNZNPIOEGX-JOYOIKCWSA-N	226.320	1.653	0	30	BDAC	
Nc1cc(Br)cc(F)c1C=O	261507060	DVEPYWNSVJBFRR-UHFFFAOYSA-N	218.025	1.983	0	30	BDAC	
CC(C)(C)OC(=O)NCc1nc(CN)cs1	83371932	ZOPHPATVZRBIET-UHFFFAOYSA-N	243.332	1.627	0	30	BDAC	
CC[C@H](C)[C@@H]1COC(=O)N1C1CCNCC1	101094543	AFFUVFKAZLRYON-ONGXEEELSA-N	226.320	1.605	0	30	BDAC	
CN(C)C(=O)Cc1ccc(C(=O)O)cc1	142366024	LJTQUFHONBMKSS-UHFFFAOYSA-N	207.229	1.016	0	30	BDAC	
Cn1c(=O)oc2cc(Br)c(N)cc21	2265384766	WFCIYJBFHGTVJY-UHFFFAOYSA-N	243.060	1.476	0	30	BDAC	
CCOC(=O)[C@@H]1CNC[C@H]1c1ccccc1	140501542	QRPKWKHMIUWDBI-NWDGAFQWSA-N	219.284	1.553	0	30	BDAC	
Nc1ncnc2c1ncn2CCc1ccccc1	158322	MALQBKDZBRRFOM-UHFFFAOYSA-N	239.282	1.651	0	30	BDAC	biogenic,in-vivo
CCOc1ccc([C@H](N)C(=O)OC)cc1	37459802	GKRSZKABJCEHSM-JTQLQIEISA-N	209.245	1.258	0	30	BDAC	
COC(=O)[C@H](N)Cc1csc2ccccc12	34169273	VUVMPTUNNSSQIB-SNVBAGLBSA-N	235.308	1.944	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCNC2)C1	83135131	NSYCYVWHKGRXGP-GHMZBOCLSA-N	240.347	1.853	0	30	BDAC	
COC(=O)[C@H](Cc1ccccc1)[C@H](C)N	238799729	SIDVGRIVHQRPIH-GXSJLCMTSA-N	207.273	1.366	0	30	BDAC	
Nc1nccnc1C(=O)Oc1ccccc1	108729	FXUTUGZVDBGHGR-UHFFFAOYSA-N	215.212	1.278	0	30	BDAC	
COC(=O)[C@H]1Cc2cccc(F)c2C(=O)O1	642885032	QDDRRJWNZOOHOL-MRVPVSSYSA-N	224.187	1.080	0	30	BDAC	
CCOC(=O)c1nc2c(s1)CCCN2	238298316	MSYFUODQZMUXGO-UHFFFAOYSA-N	212.274	1.678	0	30	BDAC	in-vitro
C[C@H]1[C@H](C)N(N=O)[C@H](C)[C@H](C)N1N=O	27878743	OHOJWCVESZTLQZ-DKXJUACHSA-N	200.242	1.521	0	30	BDAC	
O=C1NCc2ccnc(Br)c21	89212192	WJVZWFCEQLNBGR-UHFFFAOYSA-N	213.034	1.088	0	30	BDAC	
CC[C@@H](O)C[S@@](=O)(=S)c1ccc(C)cc1	100125248	KYPZPMVQOKYOJF-MEBBXXQBSA-N	244.381	1.871	0	30	BDAC	
NC1(c2nc3ccccc3s2)COC1	238591883	IFCMHBRMYHZZEZ-UHFFFAOYSA-N	206.270	1.481	0	30	BDAC	in-vitro
CN1CCOc2ncc(Br)cc21	143902333	VOMGFLFTSMFKGX-UHFFFAOYSA-N	229.077	1.673	0	30	BDAC	
CC(C)(C)c1oncc1C(=O)N1CCOCC1	12369131	AITUKKSBFGZQQT-UHFFFAOYSA-N	238.287	1.445	0	30	BDAC	
COc1ccc2c(c1)[C@H](CCNC(C)=O)C(=O)N2	33994719	HNEAVHQAQROOMN-JTQLQIEISA-N	248.282	1.257	0	30	BDAC	world
CC(C)CNC(=S)NCc1ccco1	172727	PECKRURANJPQPC-UHFFFAOYSA-N	212.318	1.900	0	30	BDAC	
CCc1nc(N)cc(Br)n1	39100741	BOAVHEKZVCPPMS-UHFFFAOYSA-N	202.055	1.384	0	30	BDAC	in-vitro
NC(=O)[C@@H](NCc1ccccc1)C1CCC1	87585225	KEMSNUPWNBYPJU-LBPRGKRZSA-N	218.300	1.430	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H](C2CC2)[C@@H]1CN	238102724	WVMKLNFWGDTQHS-QWRGUYRKSA-N	240.347	1.981	0	30	BDAC	
Oc1ccn2c(Br)cnc2c1	238690168	YJFCXUCOMXIQMG-UHFFFAOYSA-N	213.034	1.802	0	30	BDAC	
COC(=O)C1([C@@H]2CCCNC2)CC(F)(F)C1	260345226	VYCNAOYBZIYLCK-MRVPVSSYSA-N	233.258	1.575	0	30	BDAC	
NC(=S)[C@H](NC(=O)c1ccccc1)C1CC1	70665048	QXZWMAIADKSTTR-SNVBAGLBSA-N	234.324	1.481	0	30	BDAC	in-vitro
COC(=O)CCSc1ccc(N)cc1	36336299	QAVHLDCADYZYKN-UHFFFAOYSA-N	211.286	1.924	0	30	BDAC	
COC(=O)c1nncn1Cc1ccccc1	75852344	WRUSYDRVBLXDTL-UHFFFAOYSA-N	217.228	1.113	0	30	BDAC	
CCOC(=O)[C@@H](C(=O)C1CC1)C(F)(F)F	118197914	HSPHTIKQUJLMOO-ZCFIWIBFSA-N	224.178	1.707	0	30	BDAC	
C[C@H]1CCN(Cc2ccccc2)[C@@H]1CO	148960006	FLGMZFFCWQYRFZ-WCQYABFASA-N	205.301	1.889	0	30	BDAC	
CC[C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)O)CC1	514268714	KOPSGCSSBLKUES-XWLWVQCSSA-N	239.315	1.792	0	30	BDAC	
C[C@@H]1O[C@]2(C)O[C@@H]1[C@]1(C)O[C@H](C)[C@H]2O1	103721449	YGJPESKBKFTJGW-WHSUVHHGSA-N	200.234	1.040	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H](CN)C1CCOCC1	313209976	MXGVEVVBSGUZSO-JTQLQIEISA-N	229.320	1.330	0	30	BDAC	
NC(=O)c1cc(F)c(Br)s1	306618717	TVUCSYXUAXGRTG-UHFFFAOYSA-N	224.054	1.749	0	30	BDAC	
C[C@H](CCN)CCNC(=O)OC(C)(C)C	307380394	YFNLKAQOQMKSBG-SECBINFHSA-N	216.325	1.886	0	30	BDAC	
Cc1cc(=O)nc2n(CC(C)C)[nH]cc1-2	136121689	PFEPNXGPDNSHSV-UHFFFAOYSA-N	205.261	1.641	0	30	BDAC	in-vitro
COc1cc(F)ccc1OC1CCNCC1	40443151	YAKQXRNHKUKGDR-UHFFFAOYSA-N	225.263	1.965	0	30	BDAC	
O=C(O)[C@@]1(c2cccc(Cl)c2)C[C@H]1CO	132801018	CSOCFUHEHDXTOY-GZMMTYOYSA-N	226.659	1.675	0	30	BDAC	
O=C(O)C(=O)Nc1ccc(Cl)c(F)c1	42583162	WJQIBFYNJHMMLN-UHFFFAOYSA-N	217.583	1.502	0	30	BDAC	in-vitro
O=C(O)c1cc(-c2csc(CO)n2)c[nH]1	127229442	CIWVSXIKHXNNEA-UHFFFAOYSA-N	224.241	1.329	0	30	BDAC	
CC(C)c1cnc(CN(C)[C@H]2CCNC2)o1	75767026	NVUQGTZHHNXXOZ-JTQLQIEISA-N	223.320	1.592	0	30	BDAC	
CC1CCN(C(=O)OC[C@@H]2CCCCN2)CC1	92742887	LJKRCIPDPRHYCW-LBPRGKRZSA-N	240.347	1.997	0	30	BDAC	
CC(C)(C)C(=O)Nc1cccc(C=O)n1	34027613	DRJJATMNDDRQOM-UHFFFAOYSA-N	206.245	1.879	0	30	BDAC	in-vitro
COC(=O)[C@H]1[C@H]2CC[C@@]1([C@@H]1CCCNC1)C2	958536829	PAFDKGGSLBRPIA-WGBDABJCSA-N	223.316	1.575	0	30	BDAC	
C[C@H]1CCCN(c2ccc3nncn3n2)C1	80377	FVKKJGJZNUEFAD-VIFPVBQESA-N	217.276	1.361	0	30	BDAC	
O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@@H]1CCCN31	90647867	NBGOALXYAZVRPS-SCVCMEIPSA-N	203.241	1.015	0	30	BDAC	
CCOc1nc2c(cc1C(N)=O)CCCC2	33895400	SPOHYSJNADFPJJ-UHFFFAOYSA-N	220.272	1.458	0	30	BDAC	
CS(C)(=O)=NC(=O)c1ccc(N)cc1	146952249	GMQVGJACPAYBFB-UHFFFAOYSA-N	212.274	1.137	0	30	BDAC	in-vitro
COC(=O)[C@H]1NCCc2c1[nH]c1ccccc21	21998694	AXORRASOUNGLOT-LBPRGKRZSA-N	230.267	1.528	0	30	BDAC	
CCOC(=O)c1ncoc1-c1ccnn1C	61665775	QTNHNFLJLCOTCE-UHFFFAOYSA-N	221.216	1.252	0	30	BDAC	
Nc1ncnc2c1cnn2Cc1cccc(F)c1	71193658	JEVXRSGJUHRCBV-UHFFFAOYSA-N	243.245	1.596	0	30	BDAC	
CC1=C(C)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)C1=O	100067759	WMUDGOYDHACLBK-XWLWVQCSSA-N	202.253	1.913	0	30	BDAC	
OCc1cnc2cc(Br)ccn12	82695013	RGKSLSQYFVWEBA-UHFFFAOYSA-N	227.061	1.589	0	30	BDAC	
COCC[C@H]1CN(Cc2ccccc2)CCN1	34460258	UVHARNUKHWZUBV-AWEZNQCLSA-N	234.343	1.497	0	30	BDAC	
CCSCc1cc(C(=O)OC)no1	95883488	URARAWCGLXTGGJ-UHFFFAOYSA-N	201.247	1.714	0	30	BDAC	in-vitro
COC(=O)[C@H]1CCCN[C@@H]1C(F)(F)F	107469837	XGQFXQBGSMIIPC-WDSKDSINSA-N	211.183	1.090	0	30	BDAC	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1O	251664016	LAAWJBZTSKAZNN-MYJAWHEDSA-N	229.320	1.870	0	30	BDAC	
O=C(O)CN1CCOc2ccc(Cl)cc21	71790331	FRQKWAZYAVUMAM-UHFFFAOYSA-N	227.647	1.623	0	30	BDAC	in-vitro
CCN/C(=N\C)NCc1sccc1C	80668780	FSDROYQBEPORRR-UHFFFAOYSA-N	211.334	1.741	0	30	BDAC	
O=C1COc2ccc(Br)cc2CN1	713306631	OTGVGIXHIBRMKT-UHFFFAOYSA-N	242.072	1.458	0	30	BDAC	
CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](N)[C@@H]21	756957833	DMBGWVCELMTFCO-KXUCPTDWSA-N	226.320	1.733	0	30	BDAC	
COC(=O)c1ccc(NN)cc1Cl	95348042	WGTWQMQOTAZJOP-UHFFFAOYSA-N	200.625	1.412	0	30	BDAC	in-vitro
C[C@H]1O[C@@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@@H]12	104841623	FBWQLTARTKWGMT-MQIGXGKASA-N	244.287	1.403	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]1C1CC1	82359761	MIFWZSDBAYSRDA-ZJUUUORDSA-N	226.320	1.733	0	30	BDAC	
C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F	139065973	HIVJJBUFQGEXBV-NTSWFWBYSA-N	243.225	1.823	0	30	BDAC	
CC(C)(C(=O)O)[C@@H]1NCCc2cc(O)ccc21	83660099	KZLJINUMNYBNGI-LLVKDONJSA-N	235.283	1.690	0	30	BDAC	
C[C@H]1CCN(OCCCN(C)C)C1(C)C	32252588	WHIWBPHLZRJNPI-NSHDSACASA-N	214.353	1.990	0	30	BDAC	
COC(=O)c1ccc(/C=C(/C)C(=O)O)cc1	84193458	YAIORIMGZLOSJB-FPLPWBNLSA-N	220.224	1.961	0	30	BDAC	
O=C(O)c1cc(Br)cc(F)n1	95642662	GBKIPBMFLYLUGD-UHFFFAOYSA-N	219.997	1.681	0	30	BDAC	
Cc1c(Br)cncc1CN	150236919	JXRSJDBBLGQHLJ-UHFFFAOYSA-N	201.067	1.611	0	30	BDAC	
COC(=O)C=COC(=O)c1ccc(C)cc1	2265233851	AMHUEOFNAYHPNR-UHFFFAOYSA-N	220.224	1.839	0	30	BDAC	
C[S@](=O)Cc1ccc(C(C)(C)CO)cc1	2265351761	RHZMXYHPEMYMJP-HNNXBMFYSA-N	226.341	1.835	0	30	BDAC	
CNS(=O)(=O)[C@@H](c1ccccc1)C(C)C	669375868	XLBJNONNGDNDHM-LLVKDONJSA-N	227.329	1.933	0	30	BDAC	
O=P(O)(OCC(F)F)OCC(F)F	1534820659	VVQCZBJADPPHDD-UHFFFAOYSA-N	226.062	1.650	0	30	BDAC	
O=[S@](O)c1cccc(C(F)(F)F)n1	1535370262	LEYSPEKMFLMEBK-UHFFFAOYSA-N	211.164	1.681	0	30	BDAC	
Cc1nc(Br)c(C(=O)O)n1C	221305764	CJABYMNJWFVBII-UHFFFAOYSA-N	219.038	1.189	0	30	BDAC	
Cn1c([C@H]2CCCN2)nc2c1CCCC2	49813293	NQXKRAODFBYQRD-SNVBAGLBSA-N	205.305	1.723	0	30	BDAC	
CCOC(=O)c1ccc(O)cc1C(=O)OCC	366426	XESMXDXQZBMELS-UHFFFAOYSA-N	238.239	1.746	0	30	BDAC	
CCCCOCCO[C@H](C)CO[C@@H](C)CO	33638051	LOXNJBRAZNAGGB-NWDGAFQWSA-N	234.336	1.606	0	30	BDAC	
CCCc1nnc(NC(=O)CN(CC)CC)o1	33893850	UVKLIEZTJMNGDN-UHFFFAOYSA-N	240.307	1.302	0	30	BDAC	
CCOC(=O)[C@]1(Cc2ccccc2)CCCN1	96300660	RZZQCXQPOYGTSJ-CQSZACIVSA-N	233.311	1.914	0	30	BDAC	
Cc1cc(N)c(N)nc1Br	299889821	PEUUPWPKWVZJRC-UHFFFAOYSA-N	202.055	1.317	0	30	BDAC	
CC(C)(C)OC(=O)N[C@]12CCC[C@@]1(F)CNC2	219727151	STJOMMKSWSVGSX-NEPJUHHUSA-N	244.310	1.745	0	30	BDAC	
Cc1cc(-n2cnc(-c3cnoc3C)n2)no1	141006	GDPCMNAPKSSLKX-UHFFFAOYSA-N	231.215	1.527	0	30	BDAC	
C[C@]1(c2ccc(Cl)cc2)CC(=O)NC1=O	34975169	UUGLTVQGULWIPD-LLVKDONJSA-N	223.659	1.644	0	30	BDAC	
CC(C)(C)OC(=O)N1CCO[C@@H](CCCN)C1	96985401	DVPLUXDEKMZVNJ-JTQLQIEISA-N	244.335	1.361	0	30	BDAC	
CNCC(=O)c1ccc(OC)c(OC)c1	21298920	CKCVYNURNIMPNJ-UHFFFAOYSA-N	209.245	1.106	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@]2(N)C[C@@H]2C1	757175254	KVKXZCMOLBVQBH-SKDRFNHKSA-N	226.320	1.735	0	30	BDAC	
CN(C)CCOC[C@H](O)c1ccc(F)cc1	33898764	CXNQKWMWNRGTNN-LBPRGKRZSA-N	227.279	1.437	0	30	BDAC	
CS(=O)(=O)c1cc(N)ccc1Cl	72266435	XOUAZKOAMYABSD-UHFFFAOYSA-N	205.666	1.326	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)O	616657606	FRDCKDXZSRACTN-MRVPVSSYSA-N	245.275	1.097	0	30	BDAC	
O=C1Nc2ccccc2C(=O)[C@@]1(F)Cl	68339	MMJJDKQFBVGICO-VIFPVBQESA-N	213.595	1.726	0	30	BDAC	
CC[C@@]1(C(=O)OC)OC(C)(C)O[C@H]1C	39100745	OOTNIJOSVFOIOY-OIBJUYFYSA-N	202.250	1.480	0	30	BDAC	
Cn1cc(CCN)c2cc(C(=O)O)ccc21	39110010	FMKDJUDVYIABSW-UHFFFAOYSA-N	218.256	1.378	0	30	BDAC	
NC1(c2cc(Br)cnc2O)CC1	238559434	CFKWGBWDHBHQHN-UHFFFAOYSA-N	229.077	1.498	0	30	BDAC	
O=C(O)[C@]1(Br)CC1(F)F	204653085	NXXRZIRNWKGADN-GSVOUGTGSA-N	200.966	1.244	0	30	BDAC	
CN(C(=O)OC(C)(C)C)C1(CO)CC1	64034143	DBGZEMOJZQXSNA-UHFFFAOYSA-N	201.266	1.378	0	30	BDAC	in-vitro
COc1ccc(C(=O)O)c2cnccc12	82769934	XOAJKBNJTWZKST-UHFFFAOYSA-N	203.197	1.942	0	30	BDAC	
CCOC(=O)N1CC[C@](O)(c2ccccc2)C1	584621096	SMPDXERIENIPNQ-CYBMUJFWSA-N	235.283	1.736	0	30	BDAC	
NC(=O)[C@@H](N)c1ccc2c(c1)CCCC2	259094691	PLHAHKFBBRXQOE-NSHDSACASA-N	204.273	1.051	0	30	BDAC	
OC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1	15019597	CLKKWAVSCFMWRY-GFCCVEGCSA-N	241.718	1.533	0	30	BDAC	
COC(=O)[C@@H]1CCNc2ccc(OC)cc21	84781857	SOJFMSIOJOEQPO-SECBINFHSA-N	221.256	1.767	0	30	BDAC	
CCC1=C[C@@H]2[C@@H](C1)C[C@@]2(CN)CC(=O)O	113907772	FTBQORVNHOIASH-UMNHJUIQSA-N	209.289	1.782	0	30	BDAC	
CCCN(C)C[C@@H](O)c1cccc(N)c1	1846907	GGRSNVCPKUTJON-GFCCVEGCSA-N	208.305	1.644	0	30	BDAC	
CN1CCC2(CC1)CN[C@H]1C=CC=C[C@@H]12	223618570	ZBDZNVHMVVUJTC-RYUDHWBXSA-N	204.317	1.412	0	30	BDAC	
CC(=O)Nc1scnc1Br	84312201	XCJBTXGMPSZWCM-UHFFFAOYSA-N	221.079	1.864	0	30	BDAC	
N[C@@H](C(=O)O)c1ccc2c(c1)CCCC2	82532305	TXAHVAOWCXEYDI-LLVKDONJSA-N	205.257	1.650	0	30	BDAC	
Nc1ncnc2[nH]cc(-c3cccc(O)c3)c12	90714738	NZFYCADMFUFESM-UHFFFAOYSA-N	226.239	1.913	0	30	BDAC	
O=S(=O)(c1ccccc1)c1cn[nH]c1	196849234	JQBCHFZDHJZJGC-UHFFFAOYSA-N	208.242	1.243	0	30	BDAC	
COC(=O)c1cc2c(cc1F)CCNC2	675074328	UEXAYGCQYOVMPG-UHFFFAOYSA-N	209.220	1.258	0	30	BDAC	
NC(=O)c1ccccc1NC(=O)c1ccoc1	84209	JMRRDKJJXYZAOS-UHFFFAOYSA-N	230.223	1.631	0	30	BDAC	
NCc1ccc(-c2csc(N)n2)cc1	63772314	YGXAFKJKGUIHMB-UHFFFAOYSA-N	205.286	1.851	0	30	BDAC	
CNCc1cnc(-c2cccs2)nc1	12370792	VZHVJAYQGDCZAB-UHFFFAOYSA-N	205.286	1.925	0	30	BDAC	in-vitro
O=NN1CCc2cc(Br)cnc21	2265384713	OARFORNAAXJGNX-UHFFFAOYSA-N	228.049	1.888	0	30	BDAC	
CN1CCC(c2nn(C)c3c2CCCCN3)CC1	3697844	DGBWAVNSVYRYDY-UHFFFAOYSA-N	248.374	1.978	0	30	BDAC	
CC1(C)CNC[C@@H](COc2ccccc2)O1	238853401	JQGXNISTJBQAFH-LBPRGKRZSA-N	221.300	1.832	0	30	BDAC	in-vitro
CCOC(=O)[C@H](CC(=O)C1CC1)C(=O)C1CC1	536948688	GAPWDXROWIXFRP-SNVBAGLBSA-N	238.283	1.514	0	30	BDAC	
C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)O	33364587	RDFVWJDTLMKIGI-LHLIQPBNSA-N	215.249	1.374	0	30	BDAC	
Cc1nsc(OCC(=O)OC(C)(C)C)n1	725262727	NRLJCGJJPLVOLT-UHFFFAOYSA-N	230.289	1.567	0	30	BDAC	
COC(=O)c1cn(C(=O)OC(C)(C)C)cn1	2265347406	BKKOSPBZAZUEJC-UHFFFAOYSA-N	226.232	1.453	0	30	BDAC	
COc1cc2[nH]cc(CCN)c2cc1OC	5661240	RUBWDHXESZEALO-UHFFFAOYSA-N	220.272	1.686	0	30	BDAC	
Cc1c(O)c2c(c(C)c1CCO)C(=O)[C@@H](C)C2	14682883	QXFUIMCTCZCFJY-ZETCQYMHSA-N	234.295	1.919	0	30	BDAC	
Fc1ccc2c(c1)[C@H]1CNCCN1CC2	19788455	QGTCUEUPELDMPN-GFCCVEGCSA-N	206.264	1.328	0	30	BDAC	
Cc1nnsc1-c1nc(C(=O)O)cs1	109188	VFTXQZBEOOZCPZ-UHFFFAOYSA-N	227.270	1.668	0	30	BDAC	
N[C@@H](CSc1cccs1)C(=O)O	2511801	XRPOWEFAFQZLRI-YFKPBYRVSA-N	203.288	1.252	0	30	BDAC	
Cc1ccc(C(=O)C(O)(O)C(F)(F)F)cc1	4324216	JTAKWPJCSZPSGW-UHFFFAOYSA-N	234.173	1.421	0	30	BDAC	
CCN1C(=O)[C@H](CC(C)C)NC1=S	33755289	XIHVJHXWIOGUQT-ZETCQYMHSA-N	200.307	1.138	0	30	BDAC	
COC(=O)[C@@H](C)C(=O)c1cccc(OC)c1	41239401	LSSCMQBWIGBBNW-QMMMGPOBSA-N	222.240	1.687	0	30	BDAC	in-vitro
O=C(O)CCc1ccc(OCC(=O)O)cc1	146712263	AKIGVZYXCBBOEW-UHFFFAOYSA-N	224.212	1.167	0	30	BDAC	
CC(=O)NCCCN1CCCCCCCC1=O	196307477	UVTJAYCQBUPYNA-UHFFFAOYSA-N	240.347	1.695	0	30	BDAC	
COc1ccc(C(=O)O)cc1OC1CC1	95728448	CLTBCTIJJDXSDW-UHFFFAOYSA-N	208.213	1.935	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@](N)(C2CC2)C1	307480033	GEYUKBFVERUJKL-LBPRGKRZSA-N	226.320	1.735	0	30	BDAC	
O=C(O)c1ncnn1Cc1ccccc1	214427726	OPONPVIDLJXCCO-UHFFFAOYSA-N	203.201	1.025	0	30	BDAC	
NC(=O)Nc1ccnc(Br)c1	200661472	XKZOVMCTNJPGTO-UHFFFAOYSA-N	216.038	1.335	0	30	BDAC	
CCOC(=O)c1cnc2c(n1)CC[C@H]2C	201338805	LWOQHBPYXHSRGX-SSDOTTSWSA-N	206.245	1.703	0	30	BDAC	
CCOC(=O)c1cccc2nc(C)nc(O)c12	584602991	FOBZTQWDASXTPQ-UHFFFAOYSA-N	232.239	1.821	0	30	BDAC	
CC(=O)OCN(Cc1ccccc1)N=O	5161462	RTLKVTNEQXWYRN-UHFFFAOYSA-N	208.217	1.691	0	30	BDAC	
CCCCCC(=O)[C@H](C(C)=O)C(=O)OCC	100289920	IMBGUKJEVQHNPC-NSHDSACASA-N	228.288	1.904	0	30	BDAC	
C[C@H](C(=O)O)c1cn(C)nc1C(F)F	1536142496	MRILFWNOJDZIGS-BYPYZUCNSA-N	204.176	1.546	0	30	BDAC	
CC[C@H]1OC(=O)C[C@@H]1/C(=C\OC)C(=O)OC	36456807	ZLWNSSJRLXFDEK-AIORQRFUSA-N	228.244	1.031	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](O)C=C[C@H]21	514269640	KPXPTPJWIDWIMN-AEJSXWLSSA-N	225.288	1.543	0	30	BDAC	
NC[C@@H]1CCCN1CCc1ccccc1	19843295	BUUPCNSSZPMOOR-ZDUSSCGKSA-N	204.317	1.652	0	30	BDAC	in-vitro
C[C@@H](CN(C)C(=O)c1ccccc1)C(N)=S	44413488	YNZALWGCMJFLNL-VIFPVBQESA-N	236.340	1.681	0	30	BDAC	in-vitro
O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCCC1	71792698	VDQJAWYQRNBTCR-LNFKQOIKSA-N	235.283	1.132	0	30	BDAC	
Cn1nc(N2CCNCC2)c2ccc(F)cc21	79746217	PREFNKJBCKDBNW-UHFFFAOYSA-N	234.278	1.122	0	30	BDAC	
COC(=O)c1ccc2c(c1)OC(F)(F)C(=O)N2	1554770493	ONDGVAXOMIGWJL-UHFFFAOYSA-N	243.165	1.397	0	30	BDAC	
CN(C)C(=O)C[C@@H]1CC(C)(C)[C@]1(C)CO	38302140	ZDONFFPCYDZWQS-BXKDBHETSA-N	213.321	1.509	0	30	BDAC	
COc1ccccc1-c1nnc(C(=O)O)o1	32013561	JGKPXQISMBSYGR-UHFFFAOYSA-N	220.184	1.443	0	30	BDAC	
NC1(CCO)CCN(Cc2ccccc2)CC1	215160518	ALALWOMLPWFNEO-UHFFFAOYSA-N	234.343	1.362	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2N	259443381	KGTLITXKEBONNH-HLTSFMKQSA-N	212.293	1.343	0	30	BDAC	
COC(=O)c1n[nH]c2c(C(=O)O)cccc12	260852150	WCLSAMVAMNXZMP-UHFFFAOYSA-N	220.184	1.048	0	30	BDAC	
CCN1CCN(c2cccc(F)n2)CC1	40711776	LQOYPVIRUWAKGZ-UHFFFAOYSA-N	209.268	1.363	0	30	BDAC	
O=C(O)c1ccc2c(c1)C=CS2(=O)=O	139618873	KJBAZFOFYZODKB-UHFFFAOYSA-N	210.210	1.143	0	30	BDAC	
Cc1c(Br)cnc(O)c1CN	2265384938	INRVTRKGTDVQLI-UHFFFAOYSA-N	217.066	1.317	0	30	BDAC	
COc1nc(C)c(C(=O)O)cc1Br	2265381507	UFALKUJVDQESKO-UHFFFAOYSA-N	246.060	1.859	0	30	BDAC	
COC(=O)/C(Br)=C\Br	13450830	CBTTXLCKHFLDPW-NSCUHMNNSA-N	243.882	1.791	0	30	BDAC	
O=C(O)C(=O)Cc1cc(Br)cs1	35185385	HYBLZCIEQJZECH-UHFFFAOYSA-N	249.085	1.707	0	30	BDAC	
CCCC[C@H](C[C@H](C)C(=O)O)C(=O)O	140345685	PAOWIXJMMCDIPE-JGVFFNPUSA-N	202.250	1.988	0	30	BDAC	
NS(=O)(=O)C1CCC(C(F)(F)F)CC1	82862689	GMDJZSMGTQQVCO-UHFFFAOYSA-N	231.239	1.396	0	30	BDAC	in-vitro
CNC(=O)c1nc(Br)cs1	95642513	RYMODSDVCSIADM-UHFFFAOYSA-N	221.079	1.265	0	30	BDAC	in-vitro
Oc1nnc(C(F)(F)F)n2cccc12	1042838	LUOLHQMDXCAAJV-UHFFFAOYSA-N	203.123	1.454	0	30	BDAC	
CCO[C@]1(C)OCC[C@]1(C)NC(C)C	34480935	JISPIDGVAMQELL-WDEREUQCSA-N	201.310	1.916	0	30	BDAC	
O=Cc1nc(Br)cn1C(F)(F)F	2265384473	HVWZFTUNSAJSTI-UHFFFAOYSA-N	242.982	1.934	0	30	BDAC	
C[C@]1(NC(=O)OCc2ccccc2)C[C@H](N)C1	2265384609	ZRMWOMNYBNALBK-AULYBMBSSA-N	234.299	1.793	0	30	BDAC	
Nc1c2c(nc3ccccc13)C[C@H](O)C[C@H]2O	3781625	OUZJMSBCLSBRRD-WRWORJQWSA-N	230.267	1.158	0	30	BDAC	
COC(=O)Cc1cccc(O)c1C(C)=O	224531865	GXKSGBSCGMMFPX-UHFFFAOYSA-N	208.213	1.310	0	30	BDAC	
COc1cc(Br)cc(CN)c1	84482350	DFTOTOJXAAJQNO-UHFFFAOYSA-N	216.078	1.916	0	30	BDAC	
Brc1ccn(C2COC2)n1	725325609	FBLKAHOFVAKNTG-UHFFFAOYSA-N	203.039	1.217	0	30	BDAC	
N[C@H](C(=O)N1CCCC1)C1CCCCC1	13588224	RWNSISJNBAQNTF-NSHDSACASA-N	210.321	1.516	0	30	BDAC	
Cc1cc(NC2CCNCC2)nc(Cl)n1	72233151	FSEAYDBXKGEISP-UHFFFAOYSA-N	226.711	1.602	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H]2C(=O)O	253184739	OQCJMHMUVJXYQH-AYMMMOKOSA-N	241.287	1.574	0	30	BDAC	
Fc1cccc(Cc2nnc3n2CCNC3)c1	53709609	YFJDCRCHIXBUHZ-UHFFFAOYSA-N	232.262	1.111	0	30	BDAC	in-vitro
O=C(O)c1ccc(OCCF)cc1O	38416684	KOXHYQUTGYFRDF-UHFFFAOYSA-N	200.165	1.439	0	30	BDAC	
CCN(CC)CCCNC(=S)S	33649421	JKTKUIWAWFVTIQ-UHFFFAOYSA-N	206.380	1.523	0	30	BDAC	
CC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	34181426	AWRBCMYGSHMVHB-LBPRGKRZSA-N	217.268	1.624	0	30	BDAC	
CSCCCCN1CCN(C)CC1	379358270	UVZKYHHMTRGJQQ-UHFFFAOYSA-N	202.367	1.377	0	30	BDAC	
COC1(C(=O)O)CC(NC(=O)OC(C)(C)C)C1	718535102	XSBNCXRCVDXFLN-UHFFFAOYSA-N	245.275	1.143	0	30	BDAC	
COC(=O)c1sc(C(C)(C)C)nc1O	306912920	OCVNYHYJKCDGRE-UHFFFAOYSA-N	215.274	1.933	0	30	BDAC	in-vitro
N[C@@H]1CCOc2ncc(Br)cc21	238623626	NXCZJKUGVZVXDB-SSDOTTSWSA-N	229.077	1.626	0	30	BDAC	
O=C([C@H]1OCCc2ccccc21)N1CCCC1	16857412	KECQQKZGBMJNNQ-ZDUSSCGKSA-N	231.295	1.923	0	30	BDAC	in-vitro
CC(C)Sc1n[nH]c(=O)n1C(C)C	119970	KCAPEWPHKVLASJ-UHFFFAOYSA-N	201.295	1.653	0	30	BDAC	
COC1(c2ccc(C(=O)O)cc2)COC1	1535543702	PNSSNHLUCSMOLY-UHFFFAOYSA-N	208.213	1.257	0	30	BDAC	
CCOC(=O)[C@H]1CCCCN1CC(F)F	96525944	BDBLTZLKIMOLJH-MRVPVSSYSA-N	221.247	1.669	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H](CN)C[C@H]1C2	685952440	LIAZMUWNCUWUJY-DCAQKATOSA-N	240.347	1.981	0	30	BDAC	
O=C(O)[C@@H]1CS[C@H](C=Cc2ccccc2)N1	2265235831	AVCZCIMDECJOPA-WDEREUQCSA-N	235.308	1.816	0	30	BDAC	
CCOC(=O)c1csc(N=S(C)(C)=O)n1	958679774	WMWSOMNQWFHQSE-UHFFFAOYSA-N	248.329	1.679	0	30	BDAC	
O=S(=O)(Nc1cn[nH]c1)c1ccccc1F	35732162	KMIBJPIYOXRHFL-UHFFFAOYSA-N	241.247	1.350	0	30	BDAC	in-vitro
O=C(O)c1ccc(F)c([C@@H]2CCCN2)c1	72201985	WTUWTUROHDSCTF-JTQLQIEISA-N	209.220	1.948	0	30	BDAC	
COC(=O)c1ccc(NC(C)=O)c(OC)c1	186667864	LTBGGGVKWBRDBG-UHFFFAOYSA-N	223.228	1.440	0	30	BDAC	
NC(=O)[C@]1(N)CCc2cccc(Cl)c2C1	38435883	LXWLBLVBZVLAJV-NSHDSACASA-N	224.691	1.012	0	30	BDAC	
O=C(O)[C@H]1CCn2c(Br)cnc2C1	211421124	JGXLZMHUPBJKLP-YFKPBYRVSA-N	245.076	1.293	0	30	BDAC	
Cc1cc(C)nc(-n2nc(N)cc2C)n1	54404723	KNAYSOLLOXMFBT-UHFFFAOYSA-N	203.249	1.170	0	30	BDAC	in-vitro
CN(C)C[C@H](CC(=O)O)c1ccccc1	76583953	WLALEFFEISDVLQ-NSHDSACASA-N	207.273	1.807	0	30	BDAC	
COC(=O)[C@@H]1[C@H]2CC[C@@]1([C@@H]1CCCNC1)C2	958536827	PAFDKGGSLBRPIA-NOHGZBONSA-N	223.316	1.575	0	30	BDAC	
COc1ccc([C@@H](O)C2CCNCC2)cc1F	35424744	VTLKLYVZZNMNIF-ZDUSSCGKSA-N	239.290	1.867	0	30	BDAC	
CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)O	307399126	VJDDIZFIHZRFLU-ZETCQYMHSA-N	233.264	1.001	0	30	BDAC	
Nc1cc(Cl)cc(Cl)c1S(N)(=O)=O	33610085	CEIMELGOEGZARD-UHFFFAOYSA-N	241.099	1.223	0	30	BDAC	
Cc1ccc(Cl)cc1S(=O)(=O)O	34489227	OTIVVZBPDZOCBM-UHFFFAOYSA-N	206.650	1.895	0	30	BDAC	
O=C(O)C(=O)Cc1ccc(Cl)s1	35320520	FWYPQLOKGMSHKB-UHFFFAOYSA-N	204.634	1.598	0	30	BDAC	
COC(=O)CCc1ccc(N)cc1C(=O)O	396088483	SNGCPZKAGBHYIS-UHFFFAOYSA-N	223.228	1.073	0	30	BDAC	
CCOC(=O)c1oc(C)nc1Br	307193645	GVDKTWZYOCUEMW-UHFFFAOYSA-N	234.049	1.922	0	30	BDAC	
C[C@@H]1C[C@@H](C)CN(C[C@@H]2CCCNC2)C1	19516121	BZNDIWKLEZLXFA-JHJVBQTASA-N	210.365	1.964	0	30	BDAC	
NCC(=O)Nc1nc2ccccc2s1	19510298	VTUCNAXTBDDCBO-UHFFFAOYSA-N	207.258	1.194	0	30	BDAC	
COCOc1ccc(/C=C/C=O)cc1OC	5997903	DSMOYXWZPJLKEI-ONEGZZNKSA-N	222.240	1.890	0	30	BDAC	
Cc1ccc(Cn2nc(C)ccc2=O)cc1	92346	CQCUMPFQORSELD-UHFFFAOYSA-N	214.268	1.908	0	30	BDAC	
O=c1c(O)nccn1-c1c(F)cccc1F	12340089	BBVFXTQDWWREHW-UHFFFAOYSA-N	224.166	1.216	0	30	BDAC	
Cn1cc(I)cc1C=O	137368087	GHHYKNRBUUPSEV-UHFFFAOYSA-N	235.024	1.442	0	30	BDAC	
O=C(O)c1ccc([C@H](O)C(F)(F)F)cc1	39054649	XIFJNKHTLXGSPU-ZETCQYMHSA-N	220.146	1.981	0	30	BDAC	
C[C@H]1CN[C@H](C)c2nnc(C(F)(F)F)n21	40434621	CYPMJSDKSWYWNO-CRCLSJGQSA-N	220.198	1.522	0	30	BDAC	
Brc1[nH]nc2c1CSCC2	258495224	NWVUCZYRDSYBNF-UHFFFAOYSA-N	219.107	1.962	0	30	BDAC	
Cn1ncc2cc(N)c(Br)cc21	216200740	XYHIAQOJNSIPRJ-UHFFFAOYSA-N	226.077	1.918	0	30	BDAC	
OC[C@H]1CCCN(c2ccc(Cl)nn2)C1	35217003	ZJMRKZQVJAUYJG-QMMMGPOBSA-N	227.695	1.339	0	30	BDAC	
NC[C@@H]1CC12CN(Cc1ccccc1)C2	107192090	XUUDTGNQYAFYMS-LBPRGKRZSA-N	202.301	1.467	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(=O)N2CCC[C@H]2C1	306759118	UZZWPKFAHHULDV-VIFPVBQESA-N	240.303	1.228	0	30	BDAC	
NCc1ccc(-n2c(=O)[nH]c3ccccc32)cc1	75946902	IXCCWLLJEJGINF-UHFFFAOYSA-N	239.278	1.778	0	30	BDAC	
COCc1cc(=O)[nH]c2cc(O)c(C)cc12	34623412	JCKZAYWKDMRASP-UHFFFAOYSA-N	219.240	1.689	0	30	BDAC	
COC(=O)[C@H]1C=CN(C(=O)OC(C)(C)C)CC1	238335134	PZDGOAWOSISXLN-VIFPVBQESA-N	241.287	1.930	0	30	BDAC	
N[C@H]1CC[C@H](NC(=O)OCc2ccccc2)C1	79273588	ZMHVOVQAUQAVMY-RYUDHWBXSA-N	234.299	1.793	0	30	BDAC	
CCOC(=O)N1CCC[C@@H]([C@@H](C)N)C1	69725458	GGPAWRCOUINSRY-RKDXNWHRSA-N	200.282	1.202	0	30	BDAC	in-vitro
COC[C@]1(N)CCCN(C(=O)OC(C)(C)C)C1	215279964	KUHHKDVIVODILL-LBPRGKRZSA-N	244.335	1.361	0	30	BDAC	
COC(=O)C[C@H]1CCN1C(=O)OC(C)(C)C	223368518	JZUYTENKZRHCGQ-MRVPVSSYSA-N	229.276	1.559	0	30	BDAC	
N[C@@H](c1ccccc1)[C@H](O)C(F)(F)F	20281459	GFSZBXASMXIZSV-YUMQZZPRSA-N	205.179	1.610	0	30	BDAC	in-vitro
COC(=O)c1cc2c(cc1N)OCCCO2	37475294	SGDIIHAZEROKQX-UHFFFAOYSA-N	223.228	1.217	0	30	BDAC	in-vitro
COc1ccc2c(c1OC)CC[C@H](N)C2	2016172	BDHOUGWYKHSPIX-VIFPVBQESA-N	207.273	1.520	0	30	BDAC	
Cc1cc([C@@H](O)c2ccsc2)nn1C	300891904	MQSBBBQYKMXIFA-JTQLQIEISA-N	208.286	1.872	0	30	BDAC	
C[C@H](C(=O)O)N1Cc2ccccc2CC1=O	39135739	GFDKTQNDRRKPHZ-MRVPVSSYSA-N	219.240	1.044	0	30	BDAC	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)F	139066101	HIVJJBUFQGEXBV-PHDIDXHHSA-N	243.225	1.823	0	30	BDAC	
CCN(CC)C(=O)C(Cl)(Cl)C(C)=O	5845599	FDPMTHLEABSCPU-UHFFFAOYSA-N	226.103	1.618	0	30	BDAC	in-vitro
COC(=O)CCCC[C@H](N)C(F)(F)F	711605266	XACSAPQFWVTFQV-LURJTMIESA-N	213.199	1.609	0	30	BDAC	
CCOC(=O)CC(=O)c1ccnc(Cl)c1	147658239	VQESHCXOMUBUOE-UHFFFAOYSA-N	227.647	1.871	0	30	BDAC	
Cn1cc(Br)cc(Cl)c1=O	117328013	XCJDYPABZAVZQC-UHFFFAOYSA-N	222.469	1.801	0	30	BDAC	
COc1cccc(OC)c1C[C@@H](C)NN(C)C	33639141	PXMHFDMBHPVYFR-SNVBAGLBSA-N	238.331	1.701	0	30	BDAC	
COC(=O)[C@]1(C)CC(c2ccccc2)=NO1	39233292	QSPIPGHKVZNURH-LBPRGKRZSA-N	219.240	1.743	0	30	BDAC	
CCOC(CCN1CCOCC1)OCC	82463183	NAJRNVLBBDDRRF-UHFFFAOYSA-N	217.309	1.108	0	30	BDAC	
O=S(=O)(c1ccccc1)c1c[nH]cn1	95347605	ZSBXNWIMUGYYGX-UHFFFAOYSA-N	208.242	1.243	0	30	BDAC	in-vitro
COC(=O)[C@H](N)C[C@H]1CCCc2ccccc21	69553457	FMDYADPUIXUSMM-DGCLKSJQSA-N	233.311	1.997	0	30	BDAC	in-vitro
CCC[C@H](C(=O)OCC)n1ccc(N)n1	216485955	ZPCSEXFCQGJANN-MRVPVSSYSA-N	211.265	1.370	0	30	BDAC	
O=C(Cc1ccccc1F)N[C@@H]1CCCNC1	19270479	KEGHMBBUAQJROB-LLVKDONJSA-N	236.290	1.236	0	30	BDAC	
Clc1ccc2ncc(N3CCOCC3)n2c1	6622625	CYYZYHJKDNZRME-UHFFFAOYSA-N	237.690	1.824	0	30	BDAC	
COC1=C[C@@H]2[C@@H](C(=O)C1=O)[C@H]1C=C[C@H]2C1	100250422	CZIFRTCXMXHDPP-GHCJXIJMSA-N	204.225	1.107	0	30	BDAC	
COc1ccccc1C1(O)CC(C(=O)O)C1	124217922	DSDJUYYMPKDNDM-UHFFFAOYSA-N	222.240	1.377	0	30	BDAC	
CNCCOc1cccc2c1OCCO2	31622893	USPFPXXTOOVKOL-UHFFFAOYSA-N	209.245	1.056	0	30	BDAC	
Nc1cc2cccc(C(F)(F)F)n2n1	953081509	NHAFFZJPEGZZDH-UHFFFAOYSA-N	201.151	1.935	0	30	BDAC	
COC(=O)C1(NC(=O)OC(C)(C)C)CC=CC1	196043091	ZXXOXQIRVGVCOU-UHFFFAOYSA-N	241.287	1.773	0	30	BDAC	
COc1c(C(=O)O)ccc(C(=O)O)c1OC	337776	XMYYGLMNSFSAPF-UHFFFAOYSA-N	226.184	1.100	0	30	BDAC	
C[C@@H]1NC[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]12	39093708	HOWBTXXCVBFYGD-MAUMQABQSA-N	212.293	1.117	0	30	BDAC	
FC(F)(F)c1c[nH]c([C@@H]2CCCNC2)n1	36876345	AQRVZTOQDFOBGJ-ZCFIWIBFSA-N	219.210	1.896	0	30	BDAC	in-vitro
NC(=O)c1n[nH]c2cc(Br)ccc12	95911141	QWCFPVXXLJQESR-UHFFFAOYSA-N	240.060	1.424	0	30	BDAC	
COC(=O)c1ccc(CNC(C)C)cc1	19880660	IRGCRDOLUZFFOJ-UHFFFAOYSA-N	207.273	1.971	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H]1NCC12CCOCC2	395446613	UWJPQWOKWMJMHY-VIFPVBQESA-N	227.304	1.097	0	30	BDAC	
C[Si](C)(C)CCOCO[C@@H]1CCNC1	200049492	SLNDFPRFCHEGQM-SNVBAGLBSA-N	217.385	1.677	0	30	BDAC	
O=C(O)c1ncn2ccc(Br)cc12	211362607	OSEPSRDRIXLNHT-UHFFFAOYSA-N	241.044	1.795	0	30	BDAC	
c1ccc([C@@]23OC[C@@H](Cn4ccnc42)O3)cc1	33872959	RILZOIHQTKCTEH-YPMHNXCESA-N	228.251	1.513	0	30	BDAC	
Cn1ccnc1CNc1cc(C(=O)O)ccc1N	213182816	PIORRKLJTZCUBH-UHFFFAOYSA-N	246.270	1.313	0	30	BDAC	
CC(C)(C)OC(=O)N1CCc2cncn2CC1	257725270	QIWFPBDGIPKCQH-UHFFFAOYSA-N	237.303	1.676	0	30	BDAC	
O=C(O)/C=C\C(=O)Nc1ccc2c(c1)OCCO2	4709279	LDDIEXIHIFHFJB-ARJAWSKDSA-N	249.222	1.037	0	30	BDAC	
COc1ccc(-c2cc3n(n2)CCNC3)cc1	84507807	YFLJZHOKAJFPMI-UHFFFAOYSA-N	229.283	1.662	0	30	BDAC	
N[C@H]1CCCC[C@@H]1Nc1ncc(Cl)cn1	95072212	KHQPTAHFOZAQNV-IUCAKERBSA-N	226.711	1.812	0	30	BDAC	
N[C@@H]1CCCC[C@H]1Nc1ncc(Cl)cn1	95072213	KHQPTAHFOZAQNV-RKDXNWHRSA-N	226.711	1.812	0	30	BDAC	
C/C=C/[C@@H]1Oc2ccc(C)cc2C(=O)[C@H]1O	100317791	XVYLLEWVKFEVOT-JXSWWZISSA-N	218.252	1.876	0	30	BDAC	
COCCn1ccnc1[C@@H]1NCC1(C)C	536948742	NRLJUAQFYGGZQY-VIFPVBQESA-N	209.293	1.200	0	30	BDAC	
CC(=O)Nc1c(O)cc(C)c(C=O)c1O	716335583	PTTLMVUKSWICHX-UHFFFAOYSA-N	209.201	1.177	0	30	BDAC	
N[C@H]1CCOC[C@H]1OCc1ccccc1	38136692	VFZHBGRHGFTYGZ-NWDGAFQWSA-N	207.273	1.319	0	30	BDAC	
COc1ccc2c(c1)[C@@H](C)C(=O)NCC2	144523211	HLCVUAUNVLGJEG-MRVPVSSYSA-N	205.257	1.471	0	30	BDAC	
C=COc1ccccc1S(=O)(=O)O	33506022	BBJJJPPTYKZIJP-UHFFFAOYSA-N	200.215	1.456	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC=CC[C@@H]1N	238101804	ZVLNZCWYODODPW-DTWKUNHWSA-N	212.293	1.557	0	30	BDAC	
O=c1ccc(I)co1	21989738	CUECALDMBSMOOC-UHFFFAOYSA-N	221.981	1.244	0	30	BDAC	
O=C(N1CC2(CCOCC2)C1)C(F)(F)F	849394878	ICTHUZRCWUQMHT-UHFFFAOYSA-N	223.194	1.188	0	30	BDAC	
CCOC(=O)CCN(O)C(=O)OC(C)(C)C	261263676	GMBNHUCPVFWZDU-UHFFFAOYSA-N	233.264	1.566	0	30	BDAC	
Cc1nc(Cl)nc2c1NC(=O)[C@@H](C)N2C	235683759	HUXJAOAEDUBAAW-RXMQYKEDSA-N	226.667	1.215	0	30	BDAC	
O=C1NCC[C@@H](OCc2ccccc2)C1(F)F	91692242	GFJWLNKSDBWKFW-SNVBAGLBSA-N	241.237	1.727	0	30	BDAC	
CCOC(=O)c1c[nH]c2cc(C3CC3)nn2c1=O	100219402	FTLPWWMIHQVYMM-UHFFFAOYSA-N	247.254	1.077	0	30	BDAC	
CCOC(=O)c1noc(C2(CF)CC2)n1	1554770569	ZGJXTKPROZMOPR-UHFFFAOYSA-N	214.196	1.247	0	30	BDAC	
COC(=O)c1ccc(OC)c2cn[nH]c12	238396696	DPFJNGKNYIDJSB-UHFFFAOYSA-N	206.201	1.358	0	30	BDAC	
CC(C)(C)OC(=O)CO[C@H]1CC[C@H](N)CC1	390589440	RWUCFVCGXJCXEA-MGCOHNPYSA-N	229.320	1.615	0	30	BDAC	
NC(=O)N1CCC(C(=O)c2ccccc2)CC1	203614161	DHLJMSLCDKCVRA-UHFFFAOYSA-N	232.283	1.660	0	30	BDAC	
NCCCCCC(N)CCCCCN	5113031	DQWFTGPZPKZMAB-UHFFFAOYSA-N	201.358	1.352	0	30	BDAC	
CC1(C)O[C@@H]2C(Cl)=C[C@@H]3O[C@@H]3[C@@H]2O1	38672854	SBVWNWXSJQTTFJ-FKSUSPILSA-N	202.637	1.410	0	30	BDAC	
CC(=O)Nc1nc2c(s1)CN(C)CC2	23802464	RPVFJWINWFDEKH-UHFFFAOYSA-N	211.290	1.089	0	30	BDAC	
CN[C@H]1CS(=O)(=O)c2ccc(Cl)cc21	35760833	XIDWQHXAZIUIEV-QMMMGPOBSA-N	231.704	1.388	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1Cc2[nH]nc(CN)c2C1	91304660	VUAROUNWMIIYKQ-UHFFFAOYSA-N	238.291	1.119	0	30	BDAC	
COCc1cc(=O)oc2cc(OC(C)=O)ccc12	93765	IROROTHUKRAWCF-UHFFFAOYSA-N	248.234	1.865	0	30	BDAC	
COC(=O)[C@H]1CCc2ccc(Cl)nc21	114822364	KJCIVRBVOGWLFR-ZETCQYMHSA-N	211.648	1.938	0	30	BDAC	
Nc1nnc(NC(=O)C2CCCCC2)s1	86476762	ALSYSZCTMSFEFN-UHFFFAOYSA-N	226.305	1.639	0	30	BDAC	
Cc1ccccc1-n1[nH]cc2c(=O)ncnc1-2	137290479	HAXUMFFHYHMZFR-UHFFFAOYSA-N	226.239	1.369	0	30	BDAC	in-vitro
CCOC(=O)[C@H]1CCc2cccc(N)c2O1	146146322	OBGZCJGGBPYNHM-SNVBAGLBSA-N	221.256	1.526	0	30	BDAC	
CN(C)[S@@](=N)(=O)c1ccc(C(=O)O)cc1	1535644504	ZOHONTYKDYZOFY-OAHLLOKOSA-N	228.273	1.267	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(N)=S	223796902	OFGDUYOUGGQWAV-BQBZGAKWSA-N	248.323	1.620	0	30	BDAC	
Nc1cccc(-c2n[nH]c3c2COCC3)c1	685953207	UEGMGVVMYRKXFD-UHFFFAOYSA-N	215.256	1.732	0	30	BDAC	
CC(C)(C)OC(=O)NCC[C@H](N)C(F)(F)F	299805583	VZUYEEAIRVVMFO-LURJTMIESA-N	242.241	1.791	0	30	BDAC	
CC(C)(C)OC(=O)NC1CC2(C1)C[C@@H]2C(=O)O	958718764	VEYAKPONFIPPFW-UWZOBUBJSA-N	241.287	1.764	0	30	BDAC	
CN(Cc1nccs1)[C@H]1CC12CCNCC2	231354551	NKJBHGKTTHVRFF-JTQLQIEISA-N	237.372	1.717	0	30	BDAC	
COC[C@@]1(N)CCCN(C(=O)OC(C)(C)C)C1	215279921	KUHHKDVIVODILL-GFCCVEGCSA-N	244.335	1.361	0	30	BDAC	
C[C@H](Nc1cccc(C(=O)O)c1)C(=O)O	39087127	RSNDVDPJAUNOBX-LURJTMIESA-N	209.201	1.270	0	30	BDAC	
Fc1ccc(Cn2nnnc2S)cc1	103931	VRVMTYQHYHRYLH-UHFFFAOYSA-N	210.237	1.149	0	30	BDAC	
COc1cc(F)c(Cl)cc1S(N)(=O)=O	149820299	NBVWAQSILODKNN-UHFFFAOYSA-N	239.655	1.135	0	30	BDAC	
C[C@H](CSc1cc(Cl)nc(N)n1)C(=O)O	223486673	XTWUBHKHTPBCML-SCSAIBSYSA-N	247.707	1.525	0	30	BDAC	
CC[C@H](O)CN1CCSC(C)(C)C1	83690379	DUPGHMJFXSAIRK-VIFPVBQESA-N	203.351	1.585	0	30	BDAC	
COC(=O)c1ccc(OC)c2ccnn12	238396629	NGRPLILXMZNINB-UHFFFAOYSA-N	206.201	1.130	0	30	BDAC	
NCCc1cc(Br)cnc1O	714113003	DWAQWUPKCKIWMZ-UHFFFAOYSA-N	217.066	1.051	0	30	BDAC	
CCOC(=O)[C@@H]1C[C@H](C(F)(F)F)CCN1	716768563	LYYMARWKSIBKPA-RQJHMYQMSA-N	225.210	1.480	0	30	BDAC	
O=C1O[C@H](CO)C[C@H]1Cc1ccccc1	102241086	FVGRHQAFKXSGHB-MNOVXSKESA-N	206.241	1.153	0	30	BDAC	
O=S(=O)(O)c1cccc2cc(F)cnc12	39140300	GQGBEJCODFGBGP-UHFFFAOYSA-N	227.216	1.621	0	30	BDAC	
COC(=O)[C@@H]1NCCc2c(C)cccc21	96859707	QQNWOQPSYMXCDF-LLVKDONJSA-N	205.257	1.355	0	30	BDAC	
C=CC(=O)N1CCCc2cccc(C(=O)O)c21	2265385741	MJJQDPPJTNBHJA-UHFFFAOYSA-N	231.251	1.850	0	30	BDAC	
CCOC(=N)[C@H](C)NC(=O)OC(C)(C)C	39093969	YPUSSMVSOJTLPW-ZETCQYMHSA-N	216.281	1.913	0	30	BDAC	
O=C(c1ccccc1)[C@@](O)(CO)c1ccccc1	5849408	AOGNACZDZNOTSN-OAHLLOKOSA-N	242.274	1.749	0	30	BDAC	
O=C(O)c1cc2cc(F)ccc2nc1C(=O)O	32099219	QAZCTGRYQFUEHS-UHFFFAOYSA-N	235.170	1.770	0	30	BDAC	
O=[P@](O)(Oc1ccccc1)[C@@H]1CCCN1	38276911	ZJSSCIORWSJOFW-SNVBAGLBSA-N	227.200	1.960	0	30	BDAC	in-vitro
CC[C@H](N)[C@H](c1ccc(C)cc1)n1cncn1	42915821	JPFGKUSWXVKIDE-STQMWFEESA-N	230.315	1.913	0	30	BDAC	in-vitro
NC(=O)N1Cc2ccc(Cl)cc2CO1	2016323	OXMIHLGHUYDMCT-UHFFFAOYSA-N	212.636	1.666	0	30	BDAC	
O=C1CCSC[C@H]1C(=O)C(F)(F)F	100111827	KZFIQOLOLYNACD-SCSAIBSYSA-N	212.192	1.440	0	30	BDAC	
Oc1cc(O)n(Cc2ccco2)c(=S)n1	100312329	PEWMVNQUOKSVGP-UHFFFAOYSA-N	224.241	1.665	0	30	BDAC	
COC(=O)[C@]1(N)Cc2ccc(Cl)cc2C1	118825109	XMVOCEJOLINZPJ-NSHDSACASA-N	225.675	1.309	0	30	BDAC	
CC[C@H](CNC(=O)OC(C)(C)C)ON	34301676	BUIPMOBDSFMZNR-SSDOTTSWSA-N	204.270	1.180	0	30	BDAC	
COC(=O)c1cc2c(cc1N)CCCC2	146821341	NPONDHXJAVTEEO-UHFFFAOYSA-N	205.257	1.934	0	30	BDAC	in-vitro
COC(=O)[C@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2	2265358119	BEBYNYCNFDDIFE-VSKBNFNDSA-N	210.273	1.491	0	30	BDAC	
O=C(CF)N(CCO)c1ccc(Cl)cc1	2030945	FVVZKGZPIKCOPH-UHFFFAOYSA-N	231.654	1.635	0	30	BDAC	
O=C1CCCCC[C@@H]1CN1CCC[C@@H]1CO	53929778	HOETYDLHHVSXHM-VXGBXAGGSA-N	225.332	1.593	0	30	BDAC	
NC[C@H]1CC(OCc2ccccc2)=NO1	34328700	NVTKDPWDHZNADC-SNVBAGLBSA-N	206.245	1.264	0	30	BDAC	
CC[C@H](C)OC(=O)C(=O)O[C@@H](C)CC	5924984	MTLJANFMXKYOAV-YUMQZZPRSA-N	202.250	1.670	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(=O)C(C)(C)C1	238140357	ZRPAKVJACBZIGJ-UHFFFAOYSA-N	213.277	1.832	0	30	BDAC	
CCN[C@@]1(C(=O)OC(C)(C)C)CCCNC1	35270109	BGXRAAQPXQUSBH-LBPRGKRZSA-N	228.336	1.060	0	30	BDAC	
CO[C@@H]1CCN2[C@@H]3C=CC4=CC(=O)O[C@@]4(C3)[C@@H]2C1	102210238	YKLWRYOORWTCQQ-NRWUCQMLSA-N	247.294	1.030	0	30	BDAC	
C[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)O	19427534	SRFJXJHHCKSHBY-YFKPBYRVSA-N	243.646	1.249	0	30	BDAC	
CC(C)[C@H](OCCO)C(C)(C)COCCO	5761084	GPKLLERXYXMLED-NSHDSACASA-N	234.336	1.055	0	30	BDAC	
O=C1CCc2nc(Cl)nc(Cl)c2C1	95642234	FDTUIFMLJVJYDY-UHFFFAOYSA-N	217.055	1.841	0	30	BDAC	
CC(C)NC[C@@H](O)COc1ccc(NO)cc1	33902520	UCGFOKKVSOLRAB-LLVKDONJSA-N	240.303	1.225	0	30	BDAC	
NC(=O)c1ccc(OCC(F)F)c(N)c1	130427907	TYCGPMSCGPCLCR-UHFFFAOYSA-N	216.187	1.012	0	30	BDAC	in-vitro
COC(=O)c1ccc(Cl)c2c1CC(=O)N2	91692891	LCCKUFKAFQANTL-UHFFFAOYSA-N	225.631	1.621	0	30	BDAC	
COC(=O)C[C@H](N)c1cc(OC)cc(OC)c1	20577460	ILMPFVTZJSNUHY-NSHDSACASA-N	239.271	1.267	0	30	BDAC	
O=C(O)[C@@H](O)Cc1ccc(Cl)cc1Cl	6091940	NBORNXKEEFIAMC-QMMMGPOBSA-N	235.066	1.981	0	30	BDAC	
COC(C[C@@](C)(O)C(F)(F)F)OC	6442031	RKHCLVUVSJETRU-ZCFIWIBFSA-N	202.172	1.309	0	30	BDAC	in-vitro
Cc1c(C)[n+]([O-])cn1Cc1ccccc1	22000763	PQOOKVJVGVBSFK-UHFFFAOYSA-N	202.257	1.787	0	30	BDAC	
O=C(O)[C@@H]1CCCn2cc(C(F)(F)F)nc21	75989943	MTEGIGAXIPMRGL-RXMQYKEDSA-N	234.177	1.864	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@]21CN	725343495	RXLDDHKJEYNJNF-JOYOIKCWSA-N	226.320	1.735	0	30	BDAC	
NCc1ccccc1N1CCCCC1=O	19415118	GKUBGWWSTUQPNR-UHFFFAOYSA-N	204.273	1.662	0	30	BDAC	
CCn1nc2cc(C(=O)O)ccc2c1OC	36294327	ZDQJHEXRPDITJK-UHFFFAOYSA-N	220.228	1.763	0	30	BDAC	
Nc1c(C(=O)O)nc2cc(C(F)(F)F)ccn12	82694830	UJPPXLUWOWRGHX-UHFFFAOYSA-N	245.160	1.634	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H]2OCC[C@@H]21	306716186	AZVUIRLOAUPNHF-AEJSXWLSSA-N	243.303	1.146	0	30	BDAC	
COC(=O)c1ccc2c(c1)NC[C@H](C)O2	84772452	FXVYMZGNKUQGLW-ZETCQYMHSA-N	207.229	1.666	0	30	BDAC	
CC(=O)CC(=O)Nc1ccc(O)c(C(=O)O)c1	87489383	GZUCOCDWGQMOKH-UHFFFAOYSA-N	237.211	1.008	0	30	BDAC	
Brc1cn2nc(C3CC3)nc2cn1	91368458	VHGCEFNEHZZVJY-UHFFFAOYSA-N	239.076	1.764	0	30	BDAC	
CCO[C@H]1[C@@H](C(=O)OC(C)(C)C)[C@H]1C	96327762	CLPDZNJGECYXTE-HRDYMLBCSA-N	200.278	1.999	0	30	BDAC	
CC(C)(C)O[C@@H]1C[C@H](O)C12CCOCC2	642882226	DVOCVNMUOZTHIO-VHSXEESVSA-N	214.305	1.732	0	30	BDAC	
CCOC(=O)[C@@]1(C)NC(=O)c2ccccc21	584603014	MLFGQTPVSGIFDG-LBPRGKRZSA-N	219.240	1.208	0	30	BDAC	
O=C(O)CSc1nc2cccnc2s1	146148	XJETUSXVXPAHIE-UHFFFAOYSA-N	226.282	1.868	0	30	BDAC	
O=C(O)c1ccnc2[nH]c(CC3CC3)nc12	144888343	IWBWOLLNBHCROP-UHFFFAOYSA-N	217.228	1.609	0	30	BDAC	
CC1(C)CN(Cc2ccccc2)C(=O)[C@H]1O	149378972	QGIAXCPKXOERCB-LLVKDONJSA-N	219.284	1.416	0	30	BDAC	
CCOC(=O)CS[C@@H](CN)C(F)(F)F	37178244	MNRAASCLGBSEMP-YFKPBYRVSA-N	231.239	1.172	0	30	BDAC	
CCn1cc([C@@H]2NCC23CCOCC3)cn1	694986509	OVOHBLWDANYDBL-NSHDSACASA-N	221.304	1.344	0	30	BDAC	
CN(C)c1ccc(-c2cc(N)[nH]n2)cc1	6871575	AEVQGVJAMBZOGK-UHFFFAOYSA-N	202.261	1.725	0	30	BDAC	
Cc1nc2ccc(C(=O)O)cc2c(=O)o1	19087923	NRKSAKNCGYRDGU-UHFFFAOYSA-N	205.169	1.195	0	30	BDAC	
Cc1cccc([C@@H]2NN=C(c3cnccn3)N2)c1	127462	JNIBBJGHOCQFNK-LBPRGKRZSA-N	239.282	1.338	0	30	BDAC	
Cc1nc2n(c1Br)CCC2	84326604	NWVJWZQAQDUYRE-UHFFFAOYSA-N	201.067	1.900	0	30	BDAC	
COC(=O)c1ccc(OC(C)=O)c(C#N)c1	143472143	KTLBBHASISUGJW-UHFFFAOYSA-N	219.196	1.270	0	30	BDAC	
CS(=O)(=O)c1ccc2c(c1)CCCC2=O	199762131	ZBXWMGFWYFHVOL-UHFFFAOYSA-N	224.281	1.609	0	30	BDAC	
CCOC(=O)c1cnn(-c2nccs2)c1	95348293	HETYQFWUSWXFSN-UHFFFAOYSA-N	223.257	1.506	0	30	BDAC	in-vitro
C[C@H](O)C1=Cc2ccccc2C(=O)C1=O	39096281	BDCMHJPWOKIQID-ZETCQYMHSA-N	202.209	1.216	0	30	BDAC	
O=C1CCCN1/C=C/I	150182304	RDZHARZRINKLMR-HWKANZROSA-N	237.040	1.515	0	30	BDAC	
COc1nccc(C(=O)C(F)(F)F)c1N	2524955	ABFUGJGLKAZPGO-UHFFFAOYSA-N	220.150	1.417	0	30	BDAC	
CC(C)(C)OC(=O)N1CC2(CC[C@H]2CN)C1	328579548	OJWQZNMXCGURNC-VIFPVBQESA-N	226.320	1.592	0	30	BDAC	
O=c1ccc(Br)c2n1CCC2	39149695	OGDBKUKFROETQZ-UHFFFAOYSA-N	214.062	1.557	0	30	BDAC	
CC[C@@]1(CCC(C)C)OC[C@@H](CO)O1	5651653	HNGJBTVYNSPFPZ-GHMZBOCLSA-N	202.294	1.937	0	30	BDAC	
COC(=O)[C@H](O)c1occc1Br	84379043	SVQVQPVHJYSUQE-RXMQYKEDSA-N	235.033	1.249	0	30	BDAC	
Cn1ncc(Cl)c1I	75843638	YNAIJQPDBMCIMK-UHFFFAOYSA-N	242.447	1.678	0	30	BDAC	
CCCC(=O)OC(C)(OC(=O)CCC)C(C)=O	135881161	INWHCCKQYAWMAO-UHFFFAOYSA-N	244.287	1.978	0	30	BDAC	
CN(C)/C(N)=N/N=C/c1ccccc1Cl	5599618	XTLKRDIHAMKJMX-NTUHNPAUSA-N	224.695	1.550	0	30	BDAC	
COc1cc(OC2CCC2)nc(OC)n1	39121184	MNAPRIISAVFKIR-UHFFFAOYSA-N	210.233	1.425	0	30	BDAC	
O=S(=O)(O)CCCc1ccccc1	82200229	FERGWWFGBNJVCP-UHFFFAOYSA-N	200.259	1.507	0	30	BDAC	
COC(=O)C[C@@H](N)Cc1cccc(F)c1	206430889	ROUVRMVHUGAZIX-JTQLQIEISA-N	211.236	1.259	0	30	BDAC	
Cc1cn(C2CCOCC2)nc1C(=O)O	306812631	ZTFSDDQACYOPRD-UHFFFAOYSA-N	210.233	1.241	0	30	BDAC	in-vitro
CN(CCO)C(=O)/C=C/c1ccccc1	1726670	MVYSFTMDEDUZMU-BQYQJAHWSA-N	205.257	1.151	0	30	BDAC	
NC(=S)c1cc(Br)ccc1N	83357757	QKSYZMMUEWEHQZ-UHFFFAOYSA-N	231.118	1.666	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](C2CNC2)C1	91304855	VJSCBCZNNHYGQH-VIFPVBQESA-N	226.320	1.463	0	30	BDAC	
Fc1cnc(Cl)nc1NCC(F)F	148004186	MRBYQKVHLLUQMD-UHFFFAOYSA-N	211.574	1.946	0	30	BDAC	
CCOC(=O)c1cc(N)n2cccc(F)c12	953019262	SRLNSXBNJPDWET-UHFFFAOYSA-N	222.219	1.837	0	30	BDAC	
O=C(O)C1(c2ccncc2)CC(F)(F)C1	685939400	ODSJZFCYASWOQD-UHFFFAOYSA-N	213.183	1.833	0	30	BDAC	
CN1CCN(CC(=O)O)c2ccc(F)cc21	211429911	UNQHQRZKVXFAEV-UHFFFAOYSA-N	224.235	1.167	0	30	BDAC	
C[C@@H]1CN(C(=O)c2cccc(CN)c2)CCO1	19282362	SZQJRVSQWKXAJJ-SNVBAGLBSA-N	234.299	1.006	0	30	BDAC	
C[C@@H](C(=O)O)n1ccc2ccccc2c1=O	36258238	WVVUGOCPOVLEAI-QMMMGPOBSA-N	217.224	1.647	0	30	BDAC	in-vitro
O=C1N=C(O)C[C@H]1CNCc1ccccc1	39097937	VQVIQDZVJJYTRD-JTQLQIEISA-N	218.256	1.279	0	30	BDAC	
CN(Cc1ccc(F)c(F)c1)[C@H]1CCNC1	70892467	YJPFOGFGEYEZMM-JTQLQIEISA-N	226.270	1.759	0	30	BDAC	
CCOC(=O)CC(=N)Oc1ccccc1	100105351	OUXREKMQWYYXPJ-UHFFFAOYSA-N	207.229	1.996	0	30	BDAC	
S=C(N[C@@H]1C[C@H]2C=C[C@H]1C2)N1CCOCC1	100234626	FURIJBKDJCMSHC-GARJFASQSA-N	238.356	1.158	0	30	BDAC	
Cc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1	103910620	ABYPHBKOHUMAEP-UHFFFAOYSA-N	225.251	1.998	0	30	BDAC	in-vitro
COc1ccc(C2OCC(O)CO2)cc1	34068509	SPYXTZFLEURUAK-UHFFFAOYSA-N	210.229	1.102	0	30	BDAC	
C[C@@H]1COC(=O)[C@H]2CCCC[C@@H]2C(=O)O1	141714628	ORXDTHSDUGATMQ-VGMNWLOBSA-N	212.245	1.281	0	30	BDAC	
CN(C[C@@H]1C[C@H](F)CN1)C(=O)OC(C)(C)C	238860510	ZOZVFOIWQOWAES-IUCAKERBSA-N	232.299	1.553	0	30	BDAC	
CC1=Cc2cc(O)c(=O)cc(O)c2CO1	13360759	WPYIGQPLAREAID-UHFFFAOYSA-N	206.197	1.349	0	30	BDAC	
O=C(O)[C@H](C1CC1)n1cc(Br)cn1	84092538	VQEWFJNWIQVOMZ-ZETCQYMHSA-N	245.076	1.681	0	30	BDAC	
Cc1ccccc1[C@@]1(C)OC[C@@H](CO)O1	2037889	RRJZBWCMQLDFRF-PWSUYJOCSA-N	208.257	1.575	0	30	BDAC	
CC(C)N(C)C[C@@]1(O)CCOC(C)(C)C1	39109647	GPRLCNNBEUWACC-GFCCVEGCSA-N	215.337	1.647	0	30	BDAC	
Nc1ccc(F)cc1OC1CCOCC1	52122325	QMPFIGSMGLFJNR-UHFFFAOYSA-N	211.236	1.966	0	30	BDAC	
OC[C@@H](O)Oc1ccc(Cl)cc1Cl	33867980	HMJHOMSWBBBOJV-QMMMGPOBSA-N	223.055	1.683	0	30	BDAC	
C[C@H](O)c1cnc(C2OCCO2)s1	98209703	PXVWXEREDOFYIK-YFKPBYRVSA-N	201.247	1.242	0	30	BDAC	in-vitro
O=C(O)c1cn2c(cnc3ccccc32)n1	1999559	JVKYTWZLUFMIKS-UHFFFAOYSA-N	213.196	1.581	0	30	BDAC	in-man
N=C(N)[C@@H](O)c1ccc(Cl)c(Cl)c1	3627276	JWTHWYUBEYJZHL-ZETCQYMHSA-N	219.071	1.963	0	30	BDAC	
O=C1N[C@H]2SC(COc3ccccc3)=N[C@@H]12	5774630	AOJBXSXDOLCYGD-ONGXEEELSA-N	234.280	1.035	0	30	BDAC	
O=C(OC[C@H]1COc2ccccc2O1)C1CC1	39135186	CIADKEGYTLVZKG-SNVBAGLBSA-N	234.251	1.780	0	30	BDAC	
CC(C)(C)OC(=O)N1CC2(CC[C@@H](CN)C2)C1	307439714	VTDHWGLSAVUTRV-SNVBAGLBSA-N	240.347	1.982	0	30	BDAC	
COc1ccc(-c2ccc(F)nc2)nn1	35570384	ATOGCPJGCSWANG-UHFFFAOYSA-N	205.192	1.686	0	30	BDAC	
COC(=O)c1cc(O)c2c(cnn2C)c1	238386190	RUTHWIBBKQIYFT-UHFFFAOYSA-N	206.201	1.066	0	30	BDAC	
CN(C(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1C	96347004	CZEFCWCHRRLWDE-VIFPVBQESA-N	242.319	1.474	0	30	BDAC	
OCCCNc1ncc(Br)cn1	1736543	PXSBDRBKIJASEA-UHFFFAOYSA-N	232.081	1.033	0	30	BDAC	
Nc1cccc(-c2cccc(N)c2N)c1N	34317633	LQVQDAHYOABYHD-UHFFFAOYSA-N	214.272	1.682	0	30	BDAC	
CCOC(=O)c1c(N)sc(O)c1C	39084951	DAKOELIFVGTDPK-UHFFFAOYSA-N	201.247	1.521	0	30	BDAC	
O=C(O)[C@]1(c2cccc(F)c2)C[C@H]1CO	132805949	VZIJCFPIZIUSON-KWQFWETISA-N	210.204	1.160	0	30	BDAC	
CN(CCO)COc1nsc2ccccc12	38647036	NUJYXMDEPJKZDB-UHFFFAOYSA-N	238.312	1.557	0	30	BDAC	
NC(=O)c1cnc(-c2cc(F)cc(F)c2)nc1	35323388	WHELMWWTXADWKC-UHFFFAOYSA-N	235.193	1.521	0	30	BDAC	
Cc1cc(N2CCC[C@H](O)C2)ccc1N	35612265	MWZPGLQPCFMWEC-NSHDSACASA-N	206.289	1.538	0	30	BDAC	
COC(=O)[C@H](O)c1ccc(F)c(F)c1	50974355	FSNBVAIULMGGMB-MRVPVSSYSA-N	202.156	1.171	0	30	BDAC	
Nc1cc(Br)cc(-c2nnn[nH]2)c1	95217470	CQCNPWPBBOYWJK-UHFFFAOYSA-N	240.064	1.211	0	30	BDAC	
CCOC(=S)SCCCS(=O)(=O)O	2569821	MXVUSJUYJDGCJB-UHFFFAOYSA-N	244.359	1.319	0	30	BDAC	
CNC1CCN(c2ccc(F)cn2)CC1	41045253	AFDJCTPZIXSEIR-UHFFFAOYSA-N	209.268	1.409	0	30	BDAC	
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)O	148671848	RDQRLWWKIWKXNI-QMMMGPOBSA-N	247.291	1.389	0	30	BDAC	
Cc1ccc(O)c(C(=O)c2cn[nH]c2)c1	32501327	HNRKGBNITJJCHY-UHFFFAOYSA-N	202.213	1.655	0	30	BDAC	
COC(=O)C[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12	1775953510	CIYKGKUXKZAUAG-ZSOGYDGISA-N	245.322	1.928	0	30	BDAC	
O=C(O)C12COCC(c3ccccc3)(C1)C2	2265378620	KJVAYMXKGIDXBK-UHFFFAOYSA-N	218.252	1.819	0	30	BDAC	
O=C1CC(CSc2ccccn2)=NN1	100251181	JTJOELPUWRSMEQ-UHFFFAOYSA-N	207.258	1.050	0	30	BDAC	
CC1=CC(=O)N(Cc2ccccc2)C1=O	37383276	KOQFJKQRPZRORH-UHFFFAOYSA-N	201.225	1.502	0	30	BDAC	in-vitro
COC(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1	536957489	KMBNOENZEHZKKU-BDAKNGLRSA-N	210.233	1.050	0	30	BDAC	
OCc1ccc(Oc2ncccn2)cc1	40542978	QOLXIDHCUANVTB-UHFFFAOYSA-N	202.213	1.761	0	30	BDAC	
NC[C@H]1CCCN1c1ccc(Cl)nn1	82642075	GUDIXBXVEAYPCF-SSDOTTSWSA-N	212.684	1.058	0	30	BDAC	
COc1cccc2c(C(=O)N(C)C)n[nH]c12	89196147	UISZWYORHKBZTP-UHFFFAOYSA-N	219.244	1.273	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H](N)CC12COC2	96987269	SJJAJFBYYNQAQQ-SECBINFHSA-N	242.319	1.114	0	30	BDAC	
Cc1oc([C@@H](N)Cc2ccccc2)nc1C(=O)O	230500546	KCABBFXVCQWONE-JTQLQIEISA-N	246.266	1.924	0	30	BDAC	
CN(C(=O)OC(C)(C)C)C1(CN)CC1	214239698	ZCXVBNMPTQIJTF-UHFFFAOYSA-N	200.282	1.345	0	30	BDAC	
Cc1cnc(CNC(=O)OC(C)(C)C)cn1	83502315	YPCAGIIXKPBAAU-UHFFFAOYSA-N	223.276	1.810	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C12CCC2	306788181	WXGBLIVTVFWNQT-BDAKNGLRSA-N	227.304	1.815	0	30	BDAC	
C[C@](N)(CN)c1ccc2c(c1)CCCC2	33864700	IEBRCGJQUGYYCT-ZDUSSCGKSA-N	204.317	1.698	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CC=CC[C@@H]1N	238178088	ZVLNZCWYODODPW-IUCAKERBSA-N	212.293	1.557	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@H]1C1(N)CC1	216225291	MOCKQDBHBGTJRW-SECBINFHSA-N	226.320	1.877	0	30	BDAC	
Cc1ccc(CN(C)C(=O)CO)c(C)c1	21951985	FVALQBMZIZMZRG-UHFFFAOYSA-N	207.273	1.254	0	30	BDAC	in-vitro
O=C(O)[C@@H]1CCC[C@@H](Nc2cnccn2)C1	70501551	UNJYOBIWXMEZSB-RKDXNWHRSA-N	221.260	1.532	0	30	BDAC	
CC(C)c1ncc(NS(C)(=O)=O)s1	2265384417	MPFXOQGUEFHDOD-UHFFFAOYSA-N	220.319	1.638	0	30	BDAC	
NCCc1nnc(-c2cccc(F)c2)s1	40541849	AFWZSHXLQKBSOI-UHFFFAOYSA-N	223.276	1.845	0	30	BDAC	
O=C(O)c1ccn2ncc(Br)c2n1	145586302	JLNZFMZQGVWHRS-UHFFFAOYSA-N	242.032	1.190	0	30	BDAC	
CN1CCC(c2[nH]nc3c2CCCCN3)CC1	3698309	QBTKVTGSQVOKGX-UHFFFAOYSA-N	234.347	1.967	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2C=CC[C@@]2(CO)C1	104830589	VOLHNHGGWXWOLT-GWCFXTLKSA-N	239.315	1.792	0	30	BDAC	
Cc1cc(-c2onc(C)c2C(N)=O)no1	122692	RQURJQSVMDTCFV-UHFFFAOYSA-N	207.189	1.045	0	30	BDAC	
Cc1cccc(C)c1NC(=O)NCCCO	4336259	ZWQKRZPMFOUYSB-UHFFFAOYSA-N	222.288	1.807	0	30	BDAC	
NCC[C@@H]1CCC(=O)N1Cc1ccccc1	44248858	GXOXJYBZFHUQJL-LBPRGKRZSA-N	218.300	1.526	0	30	BDAC	
NC[C@H]1CN(c2cccc(F)c2)C(=O)O1	19669179	JUPGGIVRZWNEBD-VIFPVBQESA-N	210.208	1.110	0	30	BDAC	
CCOC(=O)c1cccc2nc(CO)cn12	260106991	DAJCTXZZZJACJQ-UHFFFAOYSA-N	220.228	1.003	0	30	BDAC	
CCOC(=O)[C@H]1[C@H]2c3cc(O)ccc3O[C@@H]12	710673545	NALCAYIRNHHHGC-OUAUKWLOSA-N	220.224	1.430	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H](N)CC2(CC2)C1	686095211	CPDWBPQOHGRGQS-VIFPVBQESA-N	226.320	1.735	0	30	BDAC	
Cc1cc(N)cc(C)c1N1CCOCC1=O	59549982	KPPNUQUMJMBCKB-UHFFFAOYSA-N	220.272	1.249	0	30	BDAC	
Cc1cc(O[C@H]2CCOC2=O)ccc1N	19817986	QPFDZOSOMYDKGN-JTQLQIEISA-N	207.229	1.272	0	30	BDAC	in-vitro
Cc1ccnc(NC(=O)[C@H]2CCCNC2)c1	19844237	HZMMZNCHGLRPMP-JTQLQIEISA-N	219.288	1.328	0	30	BDAC	
O=C1CSCC(=O)N1c1ccc(F)cc1	100857	BEZMDEAODVYYHE-UHFFFAOYSA-N	225.244	1.432	0	30	BDAC	
CCOC(=O)CC[C@@H](O)C(F)(F)F	32192183	MLFNYSMWFXWELZ-RXMQYKEDSA-N	200.156	1.253	0	30	BDAC	
COC(=O)c1cc(C)cc2c1OCCCO2	39110400	GVXDYTPYBCUZRV-UHFFFAOYSA-N	222.240	1.943	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1CO	84314378	NENLUIYSIMOZOY-ZJUUUORDSA-N	229.320	1.920	0	30	BDAC	
O=Cc1cc(C(=O)O)c(O)c2c1CCCC2	72232937	BLQPUWWODQAZCL-UHFFFAOYSA-N	220.224	1.782	0	30	BDAC	
CCc1nc(I)c[nH]1	114277377	CNFQZAFFDQZUAS-UHFFFAOYSA-N	222.029	1.577	0	30	BDAC	
COC(=O)c1c(C(C)(C)C)nsc1N	675077168	YYYYDILHPWCHML-UHFFFAOYSA-N	214.290	1.809	0	30	BDAC	
NCc1ccc(N)cc1Br	228873902	NADVLWHPLPJDGN-UHFFFAOYSA-N	201.067	1.490	0	30	BDAC	in-vitro
Cc1ccc(N(C)S(=O)(=O)C(F)(F)F)o1	39127134	MECPWHIQBLTPMY-UHFFFAOYSA-N	243.206	1.874	0	30	BDAC	
CC(C)(C)OC(=O)Nc1ccnc(CO)c1	585672528	JMQXQKQSIKPBED-UHFFFAOYSA-N	224.260	1.921	0	30	BDAC	
CN1CCS/C1=C\C=C\C1=[N+](C)CCS1	12176739	UJDUDSHZOVDDMX-UHFFFAOYSA-N	241.405	1.850	0	30	BDAC	
NCC1(c2ccnc(Br)c2)CC1	83323843	SLTVGLWPTPTTBC-UHFFFAOYSA-N	227.105	1.834	0	30	BDAC	
CS(=O)(=O)Cc1ccc(Cl)c(N)c1	38063849	PKPNYRFQCUDZID-UHFFFAOYSA-N	219.693	1.467	0	30	BDAC	in-vitro
CC(=O)Nc1ccc(C2=CS[C@@H](N)O2)cc1	96328107	KXLVVVLDWQJMAQ-NSHDSACASA-N	236.296	1.949	0	30	BDAC	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)O	117620255	CWCHGLNUHDOFHF-RNFRBKRXSA-N	215.249	1.326	0	30	BDAC	
C[C@H]1CNC[C@@H](C)[C@]1(O)c1ccccc1	144273452	PPXAJUZJHQALQU-PTEHBNRSSA-N	205.301	1.750	0	30	BDAC	
CCOC(=O)[C@H]1CCC(=O)C[C@H]1C(F)F	725271410	MLAGCGJBGXPTOS-JGVFFNPUSA-N	220.215	1.800	0	30	BDAC	
NC[C@H](O)COc1c(Cl)cccc1Cl	139847	PAPWJBABWJBENM-LURJTMIESA-N	236.098	1.692	0	30	BDAC	
CC(C)(C)OC(=O)NCc1nocc1C(=O)O	334163876	SADBPVFFHZXHBX-UHFFFAOYSA-N	242.231	1.398	0	30	BDAC	
COC(=O)c1ccc(C[C@H](C)CO)cc1	34612286	BANBEJVSLPOVCM-VIFPVBQESA-N	208.257	1.644	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](N)CCO1	1535647276	ILLMSBZDMADPST-IUCAKERBSA-N	230.308	1.017	0	30	BDAC	
O=C(CCCN1CCCC1)N1CCCC1	5189424	NJBNFNJNWNEJMR-UHFFFAOYSA-N	210.321	1.485	0	30	BDAC	
CCOc1c(C(=O)OC)ccc(N)c1O	39018889	YTBRAWSQPXNDME-UHFFFAOYSA-N	211.217	1.160	0	30	BDAC	
c1nc([C@H]2CCCNC2)n2c1CCCC2	82931246	VGKITYSVYVEVGT-JTQLQIEISA-N	205.305	1.686	0	30	BDAC	in-vitro
COCC[C@@H]1[C@H](O)CN1C(=O)OC(C)(C)C	521399582	BRUPDCCKALQTEV-RKDXNWHRSA-N	231.292	1.003	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C=C[C@H]2O	514269643	KPXPTPJWIDWIMN-LPEHRKFASA-N	225.288	1.543	0	30	BDAC	
Cc1csc2c(N3CCOCC3)ncnc12	82161	POTLBCOQFFWKMH-UHFFFAOYSA-N	235.312	1.836	0	30	BDAC	
COc1cc(OC)c2oc(=O)ccc2c1O	14776141	MGWVMALVHHWUDF-UHFFFAOYSA-N	222.196	1.516	0	30	BDAC	biogenic
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2C[C@H]2CO)C1	307400065	YPSLZGJDQHHJIW-DCAQKATOSA-N	241.331	1.872	0	30	BDAC	
Cn1ccc(Nc2ccccc2C(=O)O)n1	86780211	JSCCJSBBWNVLAC-UHFFFAOYSA-N	217.228	1.862	0	30	BDAC	
OCc1cccc2c1CCC21OCCO1	238727458	XVHBSLOPLJCZJN-UHFFFAOYSA-N	206.241	1.325	0	30	BDAC	
COc1ccc([C@@H]2CNC(=O)C2)c(C)c1	238366297	DYPKFNYSLPUFGM-VIFPVBQESA-N	205.257	1.607	0	30	BDAC	
C[C@@H](CNC(=O)c1ccccc1)C(N)=S	54153696	FGUSZLUIPDHTSM-QMMMGPOBSA-N	222.313	1.339	0	30	BDAC	in-vitro
CNCc1ccncc1Br	149211394	PYAADMZRKSTOBB-UHFFFAOYSA-N	201.067	1.564	0	30	BDAC	
Cc1cc2nc(Br)ccn2n1	149990534	YRKFYIUUIUMTAZ-UHFFFAOYSA-N	212.050	1.800	0	30	BDAC	
O=C(O)CC[C@H](O)c1ccc2c(c1)CCC(=O)N2	20217911	BZUPALUDUDLLQA-NSHDSACASA-N	249.266	1.470	0	30	BDAC	
Nc1cnc(I)c(F)c1	306599753	IAGQLHAGQUJIAJ-UHFFFAOYSA-N	238.003	1.408	0	30	BDAC	
COc1cc(Br)cn(C)c1=O	307291476	CITZKJYPHATPGA-UHFFFAOYSA-N	218.050	1.156	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC(F)(F)C[C@H]1N	306779173	UOONEHWEPPYREX-RNFRBKRXSA-N	236.262	1.636	0	30	BDAC	
O=C1c2ccccc2C(=O)N1[C@H]1CCC[C@@H]1O	39269819	ZXTFPDUHMAZCKF-QWRGUYRKSA-N	231.251	1.196	0	30	BDAC	
CSc1nc(Br)cnc1N	60203048	FSOWDVOHUJKGNW-UHFFFAOYSA-N	220.095	1.543	0	30	BDAC	
NCc1ncc(Br)n1C(F)(F)F	257727807	UFOMKPBQHZTVFM-UHFFFAOYSA-N	244.014	1.581	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@]2(N)C[C@@H]2C1	757175251	KVKXZCMOLBVQBH-BXKDBHETSA-N	226.320	1.735	0	30	BDAC	
CC1(C)OCC2(CCC(O)CC2)CO1	148960880	QMOHUDTYKFXYFS-UHFFFAOYSA-N	200.278	1.691	0	30	BDAC	
Oc1ccc(Br)c2c1OCO2	149550063	RXDSSESDOZNJIS-UHFFFAOYSA-N	217.018	1.883	0	30	BDAC	
C[C@@H]1CCN(Cc2ccccc2)[C@H]1CO	248889095	FLGMZFFCWQYRFZ-YPMHNXCESA-N	205.301	1.889	0	30	BDAC	
COc1ccc(OCCCC(=O)O)cc1OC	34338429	ZKUWLUZXJTYFOH-UHFFFAOYSA-N	240.255	1.947	0	30	BDAC	
CS(=O)(=O)c1ncc2ccsc2n1	66347813	HKCCJBVIGIVKJZ-UHFFFAOYSA-N	214.271	1.095	0	30	BDAC	
CN[C@@H](C)CCNC(=O)OC(C)(C)C	214385464	RDMLKVWMUSZEGD-QMMMGPOBSA-N	202.298	1.509	0	30	BDAC	
C[C@]12CCC(=O)C[C@H]1CCC21OCCO1	196459649	ASPJLFLVEGLAPQ-KOLCDFICSA-N	210.273	1.899	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CNC[C@@H]21	701671053	AAGNVQRRGGYPFE-UTLUCORTSA-N	226.320	1.367	0	30	BDAC	
COC(=O)c1cccnc1-c1ccc(C(=O)O)o1	90513554	IVLBYFRVCBWVBX-UHFFFAOYSA-N	247.206	1.826	0	30	BDAC	
O=C(O)c1cc(=O)oc2ccc(O)cc12	238709109	AKSJLMBKEMBXQL-UHFFFAOYSA-N	206.153	1.197	0	30	BDAC	
CCc1cc(C(=O)O)cc(C(=O)OC)c1	2265383661	MJOMYACOACRODT-UHFFFAOYSA-N	208.213	1.734	0	30	BDAC	
COC(=O)[C@H](N)c1ccccc1OC(F)(F)F	37514748	YJCUCGHEHDNFQL-MRVPVSSYSA-N	249.188	1.758	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)NC/C=C/CC(=O)O	38673589	RWSYZZIWHQZJFU-SNAWJCMRSA-N	215.249	1.542	0	30	BDAC	
NS(=O)(=O)c1cc2sccc2s1	146754762	JAYUOYVAGUBEKY-UHFFFAOYSA-N	219.312	1.610	0	30	BDAC	
O=C1CCC(c2cccs2)=NN1CO	129235	OEQFQUCVECSHEC-UHFFFAOYSA-N	210.258	1.024	0	30	BDAC	
ClC1(Cl)C[C@H]1CSC1=NCCN1	141773	FXJBQITWEICODM-YFKPBYRVSA-N	225.144	1.873	0	30	BDAC	
C[C@H]1CN=C(NC(=O)c2ccccc2)O1	39105303	IXRPGGNHVRQKPO-QMMMGPOBSA-N	204.229	1.191	0	30	BDAC	
O=C(O)[C@]1(Cc2ccccc2)CCOC1	54634086	NYPKWCFGOPTYDQ-LBPRGKRZSA-N	206.241	1.720	0	30	BDAC	
CC(C)(C)[C@@H]1OC(=O)[C@](C)(CC(=O)O)O1	38363839	GCBUNLHQSIRILB-SCZZXKLOSA-N	216.233	1.165	0	30	BDAC	
Cc1c(N)c(=O)n(C2CCCCC2)n1C	41043656	APQOOJSYNFLVKA-UHFFFAOYSA-N	209.293	1.583	0	30	BDAC	
NS(=O)(=O)C[C@@H]1CCCCC1(F)F	307062178	FYCWZRXKLVNSPR-LURJTMIESA-N	213.249	1.100	0	30	BDAC	
NS(=O)(=O)C1CC(c2ccccc2)C1	606283073	MWOAVJPXDGFYAG-UHFFFAOYSA-N	211.286	1.221	0	30	BDAC	
Cc1ccc(NC(=O)C2=NNC(=O)CC2)cc1F	156614	PXYRSQGMTXMBNP-UHFFFAOYSA-N	249.245	1.339	0	30	BDAC	
CCCc1ccc(-n2nnnc2S)cc1	100293	ZBXICRNUKNWKNL-UHFFFAOYSA-N	220.301	1.904	0	30	BDAC	
NCC1CCN(C(=O)c2cccs2)CC1	20182477	WSYQSAXOIRRZFV-UHFFFAOYSA-N	224.329	1.559	0	30	BDAC	
Cc1cccc([C@@]23CO[C@@H](C2)[C@@H]3C(=O)O)c1	757543127	MMXROUJNMXXJDG-LOWVWBTDSA-N	218.252	1.736	0	30	BDAC	
NCc1ccccc1CN1CCC[C@H]1CO	42432738	WNQZZIGYKMXIFT-ZDUSSCGKSA-N	220.316	1.102	0	30	BDAC	in-vitro
COC(=O)c1cc(OC)cc(OC)c1N	4100013	FWXAYAZGRKQLHP-UHFFFAOYSA-N	211.217	1.073	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@H](O)CC1CC1	697442595	GLQAUYYBTAZNHL-SECBINFHSA-N	215.293	1.672	0	30	BDAC	
CS(C)(=O)=Nc1ccccc1C(=O)O	536955640	RLVZRQZUAYCBKF-UHFFFAOYSA-N	213.258	1.744	0	30	BDAC	
N[C@@H](CS(=O)(=O)O)c1ccc(Cl)cc1	6093257	YXUUWCRKRJHQBE-QMMMGPOBSA-N	235.692	1.228	0	30	BDAC	
Cc1nnc(Br)n1C1CC1	75842638	UBPUZDJKWBJXAE-UHFFFAOYSA-N	202.055	1.684	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1C[C@@H](N)[C@@H]2C[C@@H]2C1	84310688	RGUXKOMAMWNWBO-IWSPIJDZSA-N	212.293	1.201	0	30	BDAC	
C[C@@H]1NC[C@@H]2[C@@H](NC(=O)OC(C)(C)C)[C@@H]12	147312435	HOWBTXXCVBFYGD-XSPKLOCKSA-N	212.293	1.117	0	30	BDAC	
CC(C)c1nc2c([nH]1)C[C@H](C(=O)O)CC2	71482021	MJAHJHYFXIFVHK-SSDOTTSWSA-N	208.261	1.723	0	30	BDAC	in-vitro
CC(=O)N1C(C)(C)C=C(C(=O)O)C1(C)C	2528462	MGZCMUMKDRAYPZ-UHFFFAOYSA-N	211.261	1.417	0	30	BDAC	in-vitro
CS(=O)(=O)Cc1cc(F)cc2c1OCOC2	4323217	OIPNTWFUNWPPTA-UHFFFAOYSA-N	246.259	1.237	0	30	BDAC	
COc1ccc([C@@H](C)[C@@H](N)C(=O)O)cc1	107446883	HYOLSKLZTOUWNN-GMSGAONNSA-N	209.245	1.211	0	30	BDAC	
C[C@@H](C(=O)O)C(=S)C(=S)[C@H](C)C(=O)O	38644179	ICOZEHWAFZQWAU-ZXZARUISSA-N	234.298	1.168	0	30	BDAC	
CCn1c(N2CCC[C@H](N)C2)nc2ccccc21	43220237	ZRYWOHWETUYIKS-NSHDSACASA-N	244.342	1.984	0	30	BDAC	
O=C1OCC[C@@]12Sc1ncccc1C2=O	15043181	TVFIIICWVZKOHI-JTQLQIEISA-N	221.237	1.056	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H](CN)C(F)(F)F	143036709	DLNPCORHTMWBMT-YFKPBYRVSA-N	228.214	1.401	0	30	BDAC	
C[C@H](CCO)CNC(=O)OC(C)(C)C	84193731	HLPHAXAHATVNKN-MRVPVSSYSA-N	203.282	1.530	0	30	BDAC	in-vitro
Cc1cscc1NC(=O)/C=C/C(=O)O	82767	RADQFYZJCRLPDM-NSCUHMNNSA-N	211.242	1.636	0	30	BDAC	
COC(=O)[C@@H](N)Cc1nccc2ccccc12	259916007	GHBQYBRWVYPTRX-NSHDSACASA-N	230.267	1.278	0	30	BDAC	
C[C@H]1c2ccsc2CCN1S(C)(=O)=O	143635	RAPPFXJTHOGLCS-ZETCQYMHSA-N	231.342	1.627	0	30	BDAC	
CN(N=O)[C@H](CCC(=O)O)c1cccnc1	5140732	NZSNJPDBPMIBSP-SECBINFHSA-N	223.232	1.601	0	30	BDAC	in-vitro
c1cncc(CN2CCC([C@H]3CCNC3)CC2)c1	71751483	XVKLBIHHYYUJMV-HNNXBMFYSA-N	245.370	1.903	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H](CN)C1(C)C	216549907	CLVOTKNVQUZLEX-VIFPVBQESA-N	228.336	1.981	0	30	BDAC	
CC(C)(C)OC(=O)[C@H](CN)OC(C)(C)C	142503064	RJBWGLKVGYQMTI-QMMMGPOBSA-N	217.309	1.471	0	30	BDAC	
C/C=C/C(=O)Nc1ccccc1C(=O)O	19476722	JJMMKVGGZNGHER-GORDUTHDSA-N	205.213	1.899	0	30	BDAC	
Cc1cccc2c1CCN2N(C)C(N)=S	39110381	VWZZKTXJNVLHOK-UHFFFAOYSA-N	221.329	1.448	0	30	BDAC	
CC(C)(C)ONC(=O)CCCCC(=O)O	134474866	SLEMEACXFAYIPT-UHFFFAOYSA-N	217.265	1.478	0	30	BDAC	
O=C(O)COc1cc(F)cc(Cl)c1	197372378	UZUNPUFAQCUAJX-UHFFFAOYSA-N	204.584	1.943	0	30	BDAC	
Cn1ccc(C(=O)NCc2ccccc2)cc1=O	40496605	XELJDIIVHJWYPJ-UHFFFAOYSA-N	242.278	1.315	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CNC[C@H]21	113038272	HODGRZURVLFVKM-BBBLOLIVSA-N	226.320	1.509	0	30	BDAC	
CCOC(=O)N1CCCN=C1SC	4300566	BGRPDOXFNCUMLH-UHFFFAOYSA-N	202.279	1.568	0	30	BDAC	
O=P(O)(O)OCCOc1ccccc1	6115979	KSTDNMVCVQWPJG-UHFFFAOYSA-N	218.145	1.175	0	30	BDAC	
COc1ccc(N2CCC[C@H](N)C2=O)cc1	70061632	GSQOUHCJKCYNPU-NSHDSACASA-N	220.272	1.149	0	30	BDAC	
CO[C@H]1O[C@@H](OC)C=C1Br	38313021	RUBCKABMZZZEAK-RITPCOANSA-N	209.039	1.240	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(c2ncccn2)C1	91353133	IPHKADORQLZWSI-UHFFFAOYSA-N	235.287	1.811	0	30	BDAC	
CC(=O)C[C@H](C(C)=O)[C@@H](O)c1ccco1	33607733	LACIYQDZSCPPHT-MWLCHTKSSA-N	210.229	1.497	0	30	BDAC	
O=C(O)c1ncn(-c2cccc(Cl)c2)n1	91355985	YVKFFPKGAPZNQR-UHFFFAOYSA-N	223.619	1.619	0	30	BDAC	in-vitro
CCC(=O)CN1CCSC(C)(C)C1	135215055	LHKYXMDUVAENPW-UHFFFAOYSA-N	201.335	1.793	0	30	BDAC	
CC(C)(C)OC(=O)N1[C@H]2CC(N)C[C@H]1C2	148353538	YRNGRFZNXFKTRE-IUCAKERBSA-N	212.293	1.486	0	30	BDAC	
C[C@H](O)C(F)(F)C(F)(F)Br	139865368	YFBPZFMOKSFFLT-REOHCLBHSA-N	224.979	1.990	0	30	BDAC	
CCC[C@H](CCCS(C)(=O)=O)C(=O)O	63016208	LJOHFKJLNBRWDW-MRVPVSSYSA-N	222.306	1.312	0	30	BDAC	in-vitro
CCOC(=O)c1ccc2c(Cl)ncnn12	91691386	JWYDJDGPIZQXNN-UHFFFAOYSA-N	225.635	1.559	0	30	BDAC	
NCCc1nccn1Cc1ccccc1	12505748	WJNJWJQZBZGWDM-UHFFFAOYSA-N	201.273	1.433	0	30	BDAC	in-vitro
COC(=O)[C@](C)(Br)C(C)C	39411643	BRXXNIVJTZPLGJ-SSDOTTSWSA-N	209.083	1.969	0	30	BDAC	
COC(=O)[C@@H]1CC[C@H](C(F)(F)F)CN1	253182162	ICPGSLGKPXNNJN-WDSKDSINSA-N	211.183	1.090	0	30	BDAC	
CS(C)(=O)=NC(=O)c1ccccc1N	238854057	MMIWSLNDZQVGGM-UHFFFAOYSA-N	212.274	1.137	0	30	BDAC	in-vitro
COC(=O)[C@]1(C(=O)O)C[C@@H]1c1ccccc1	146190323	KICBKCDHFFGKCB-BXKDBHETSA-N	220.224	1.418	0	30	BDAC	
Nc1c(Br)cccc1CC(=O)O	96301146	USCUTEUVARIOAD-UHFFFAOYSA-N	230.061	1.658	0	30	BDAC	
O=C(OCc1ccccc1)N1C[C@H]2NCC[C@H]21	114861835	YBLYJVWXMJIJDA-VXGBXAGGSA-N	232.283	1.369	0	30	BDAC	
CC(C)(C)OC(=O)NCC[S@](C)(=N)=O	1535647237	GBBXHNSJKIYNEC-CQSZACIVSA-N	222.310	1.188	0	30	BDAC	
COc1cc(OC)c2[nH]c(C(=O)O)cc2c1	4218753	DJCNCVPGFAPGKP-UHFFFAOYSA-N	221.212	1.883	0	30	BDAC	in-vitro
CCOC(=O)c1ncn(-c2ccccc2C)n1	91369002	GIDGBYYXSWIIBC-UHFFFAOYSA-N	231.255	1.752	0	30	BDAC	in-vitro
COC(=O)CCNc1cccc(NC(C)=O)c1	36985669	FBZLVLHNZMZBDI-UHFFFAOYSA-N	236.271	1.620	0	30	BDAC	
NC(=O)[C@@H]1CCN(c2cccc(O)c2Cl)C1	222906891	LYKYOJFPAKFVBZ-SSDOTTSWSA-N	240.690	1.357	0	30	BDAC	
CCCCOC(=O)/C=C1\NC(=O)CS1	3640765	CEQQEYYFFCGBON-VMPITWQZSA-N	215.274	1.034	0	30	BDAC	
FC(F)Oc1cnc(Br)cn1	238531657	ZTWLOEJUYLLHCK-UHFFFAOYSA-N	224.992	1.841	0	30	BDAC	
COC(=O)CCN(C(=O)C(F)(F)F)C(C)C	71636185	XXJPQIOKGUINJI-UHFFFAOYSA-N	241.209	1.349	0	30	BDAC	in-vitro
O=C(O)c1cc(OCC(F)F)ccn1	95218318	LBKTWMITDYKATQ-UHFFFAOYSA-N	203.144	1.424	0	30	BDAC	in-vitro
CCOC(=O)[C@@H]1CCC(=O)[C@]2(CC)O[C@]12C	396060098	RNQLYGHXWJUCTO-AXTRIDKLSA-N	226.272	1.466	0	30	BDAC	
COC(=O)[C@]1(c2ccc(OC)cc2)CCNC1	260426598	DILSRMYBSJBQLR-CYBMUJFWSA-N	235.283	1.099	0	30	BDAC	
O=C1Nc2ccc(F)cc2N2CCC[C@@H]12	64551292	NVXLBCNIHBTWCG-VIFPVBQESA-N	206.220	1.747	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)NCCCn1cc(N)cn1	220778538	XITIZOQUUVELJS-UHFFFAOYSA-N	240.307	1.380	0	30	BDAC	
CCc1ccc(C(=O)CC(=O)OC)cc1	41214557	CMAXGZLAEJZSTE-UHFFFAOYSA-N	206.241	1.995	0	30	BDAC	
COC(=O)[C@@H]1Cc2cccc(Cl)c2C1=O	514287087	HHPWBKHHXIDMEX-SSDOTTSWSA-N	224.643	1.868	0	30	BDAC	in-vitro
CCOC(=O)c1cc2c([nH]1)CCC(F)(F)C2=O	204679019	LNJVZDUNIXEBQQ-UHFFFAOYSA-N	243.209	1.956	0	30	BDAC	
O=C(N1C[C@H]2CCC=C[C@H]2C1)C(F)(F)F	39055796	TWRGGEBFZHEKMV-JGVFFNPUSA-N	219.206	1.973	0	30	BDAC	
COC(=O)[C@H]1NCCc2c(C)cccc21	96859706	QQNWOQPSYMXCDF-NSHDSACASA-N	205.257	1.355	0	30	BDAC	
CCOc1cccc(C2OCCO2)c1O	39099686	XQCYBUNTQZETCJ-UHFFFAOYSA-N	210.229	1.836	0	30	BDAC	
CCC[C@H](C)COC(=O)CCC(=O)CN	34381141	SCAKPIXDAZCYRT-VIFPVBQESA-N	215.293	1.274	0	30	BDAC	
Cn1cnc2cc(Br)ncc21	390822116	GKPXJULAIVNYIR-UHFFFAOYSA-N	212.050	1.731	0	30	BDAC	
COC(=O)/C=C1\C(=O)Nc2c(F)cccc21	725343626	NVFIJWIQABPCLF-ALCCZGGFSA-N	221.187	1.334	0	30	BDAC	
CC(=O)c1c(Br)nsc1N	39190098	WVHBILGIFFDXGM-UHFFFAOYSA-N	221.079	1.690	0	30	BDAC	in-vitro
CCOCn1nc(C)c(CC(=O)O)c1C	83756274	YRFNSXQPZLUJFM-UHFFFAOYSA-N	212.249	1.121	0	30	BDAC	
C=COC(=O)C1(C)COC(C)(C)OC1	22067374	VSWOCHNKSUBLLL-UHFFFAOYSA-N	200.234	1.462	0	30	BDAC	in-vitro
O=S(=O)(Nc1ccc(O)cc1)C(F)(F)F	146731621	KMVWJIAZVARRFQ-UHFFFAOYSA-N	241.190	1.654	0	30	BDAC	
CN(C1CC1)[C@H](CC(=O)O)C(F)(F)F	62751196	CKXAYTDMSFZWEN-ZCFIWIBFSA-N	211.183	1.486	0	30	BDAC	
O=C(O)c1cc([C@@H]2CCCN2)ccc1F	72201977	OJGADJBUAPZSGD-JTQLQIEISA-N	209.220	1.948	0	30	BDAC	
Cn1nc(C2CCC2)nc1Br	212745308	GMOOCBZTZWTWBD-UHFFFAOYSA-N	216.082	1.845	0	30	BDAC	
C[C@H]1C[C@@H](C(=O)O)[C@H](C(=O)O)C[C@H]1C	4321964	NSVFQYRNBOFQMT-ULAWRXDQSA-N	200.234	1.454	0	30	BDAC	
CN(C)NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	102933979	BOOLCFQIXRVWKV-XHNCKOQMSA-N	213.350	1.116	0	30	BDAC	
COC(=O)c1nccc(Br)c1N	306659036	JGQLLNJOYKRUOD-UHFFFAOYSA-N	231.049	1.213	0	30	BDAC	
O=C1NCCCC[C@@H]1I	78045511	BCEMFOYMSQZJGU-YFKPBYRVSA-N	239.056	1.090	0	30	BDAC	
COc1cccc([C@H](N)CCO)c1OC	44396327	JMNFUVWNCHBAMU-SECBINFHSA-N	211.261	1.086	0	30	BDAC	
CC(C)(C)OC(=O)[C@H]1NCC12CCOCC2	395446610	UWJPQWOKWMJMHY-SECBINFHSA-N	227.304	1.097	0	30	BDAC	
NS(=O)(=O)C[C@H]1CCCCC1(F)F	307062179	FYCWZRXKLVNSPR-ZCFIWIBFSA-N	213.249	1.100	0	30	BDAC	
CCOC(=O)C[C@H](N)CCc1ccccc1	34628703	XOTDONLNWOOEMI-GFCCVEGCSA-N	221.300	1.900	0	30	BDAC	
CC(C)c1nc(=O)n(-c2ccncc2)[nH]1	950757412	ZYZXOECZLDUKMH-UHFFFAOYSA-N	204.233	1.079	0	30	BDAC	
CC(C)C(=O)C(=O)OCc1ccccc1	38312962	KKLBVJNMBJECIO-UHFFFAOYSA-N	206.241	1.955	0	30	BDAC	in-vitro
O=C(O)c1ccccc1[C@@H](O)C(F)(F)F	39054644	CVOOSIWUSKUMST-SSDOTTSWSA-N	220.146	1.981	0	30	BDAC	
CCCN(CCC)C[C@H](C)C(=O)OC	33506152	VGUXUBAHVQOINX-JTQLQIEISA-N	201.310	1.918	0	30	BDAC	
COc1ccc([C@@H](N)C(=O)O)cc1C(F)(F)F	220837388	LPAMQBLRFSMSSA-MRVPVSSYSA-N	249.188	1.798	0	30	BDAC	
COCCCCNCc1cccc(O)c1	44656198	SHMVIWMYZJVPCR-UHFFFAOYSA-N	209.289	1.908	0	30	BDAC	
CN(Cc1ccccn1)[C@H]1CCCNCC1	82666702	FTJKMHYEHSAXCJ-ZDUSSCGKSA-N	219.332	1.656	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)O	238111839	KYHGZORJGSFFSC-JGVFFNPUSA-N	245.275	1.001	0	30	BDAC	
CC(C)(C(=O)O)[C@H]1CC[C@@H](C(=O)O)C1	5357532	QSRHRQWRLFGZKS-RQJHMYQMSA-N	200.234	1.598	0	30	BDAC	
CC1(C)C[C@@H](N)C[C@@](C)(CNCCC(=O)O)C1	38636268	RGKAWYALXRQNJW-ZWNOBZJWSA-N	242.363	1.594	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]2[C@H]1C(=O)O	2265384667	HBLBLUNEVYQKEG-FNCVBFRFSA-N	241.287	1.620	0	30	BDAC	
Cc1ccccc1CN1CCO[C@@H](CN)C1	11885819	PXAYEIRWKUYLAI-ZDUSSCGKSA-N	220.316	1.155	0	30	BDAC	in-vitro
N[C@](C(=O)O)(c1ccc(Cl)cc1)C1CC1	3677385	IPTANPCDJAVOBQ-NSHDSACASA-N	225.675	1.989	0	30	BDAC	
CC(C)(CCO)CNC(=O)OC(C)(C)C	39093986	DYOBUYZWJREDHS-UHFFFAOYSA-N	217.309	1.920	0	30	BDAC	
CCO[C@@H]1C[C@@]2(CO)CCCC[C@H]2O1	39098941	KEFLGGMEUGKULG-OUAUKWLOSA-N	200.278	1.691	0	30	BDAC	
Cn1ccc(-c2cccs2)nc1=NC#N	254879218	GUEZJHDMDYXWGT-UHFFFAOYSA-N	216.269	1.530	0	30	BDAC	
CNc1c(Cl)cccc1S(=O)(=O)NC	2265385057	UBQPZAGUVIZRHV-UHFFFAOYSA-N	234.708	1.290	0	30	BDAC	
O=C(O)/C=C\C(=O)Nc1ccc(F)c(F)c1F	4709465	VWWCRLCGVZWUCI-ARJAWSKDSA-N	245.156	1.683	0	30	BDAC	
CC(=O)Nc1cccc(NC2CCNCC2)c1	38040563	SNIVOWYQWQHPJW-UHFFFAOYSA-N	233.315	1.809	0	30	BDAC	
CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1[C@@H](O)C2	306963385	LJZKCLOQMYZAGC-GUBZILKMSA-N	227.304	1.909	0	30	BDAC	
C[C@H](NC(=O)OC(C)(C)C)C(O)=S	39093399	XOUNMZDIMUZMTD-YFKPBYRVSA-N	205.279	1.785	0	30	BDAC	
OCc1cccc(CN2CCOCC2)c1	20230812	KFSCOCJCNMSXOK-UHFFFAOYSA-N	207.273	1.011	0	30	BDAC	in-vitro
O=C1C(Cl)=C(CCO)C(=O)c2ccccc21	1995727	LTJOCZQFODMSNN-UHFFFAOYSA-N	236.654	1.941	0	30	BDAC	
O=C(O)C1=CN2C=COc3cccc(c32)C1	78217074	DUGFZRFLUQJFOO-UHFFFAOYSA-N	215.208	1.881	0	30	BDAC	
O=C(O)[C@@H]1CCCN(c2ccccc2)C1=O	106788556	ZKVHCSGIMKBCIM-SNVBAGLBSA-N	219.240	1.514	0	30	BDAC	in-vitro
NC(=O)[C@H](O)c1ccc(F)cc1C(F)(F)F	34506898	XLKAAJNVWNLDTN-SSDOTTSWSA-N	237.152	1.363	0	30	BDAC	
N[C@H](Cc1ccccc1)[C@@H](N)C(F)(F)F	47845225	QVVAVUSJVMSJQJ-RKDXNWHRSA-N	218.222	1.446	0	30	BDAC	in-vitro
CCCCCCNC(=O)CCCCC(N)=O	2010704	QDBQXOAICGSACD-UHFFFAOYSA-N	228.336	1.729	0	30	BDAC	
COC(=O)C[C@H]1CCNCCC1(F)F	259858225	MNEJSCGXXRVUAD-SSDOTTSWSA-N	207.220	1.184	0	30	BDAC	
COC(=O)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12	259713483	NJKNDGQUFLNXNJ-YUMQZZPRSA-N	241.287	1.272	0	30	BDAC	
CCc1ccc2oc(N)c(C=O)c(=O)c2c1	100375868	GBVNVSIAAXOVNQ-UHFFFAOYSA-N	217.224	1.750	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC12CC(O)C2	642875756	KMGGWGCCFJVMAM-JKDSDDBFSA-N	213.277	1.425	0	30	BDAC	
O=C(O)[C@@H]1Cc2c(Br)cccc2O1	258293596	URAQPWNKENLHSS-QMMMGPOBSA-N	243.056	1.837	0	30	BDAC	
COC(=O)c1cc(C(N)=O)ccc1Cl	584907460	PJGQJJCMJBNONV-UHFFFAOYSA-N	213.620	1.226	0	30	BDAC	
CCCCCCO[P@](=O)(O)CC(=O)O	3626069	ANOGDOSWBXUABW-UHFFFAOYSA-N	224.193	1.853	0	30	BDAC	
Cc1nnc(N2CCNCC2)c2ccccc12	21950195	QPCBFQLBAQATFA-UHFFFAOYSA-N	228.299	1.348	0	30	BDAC	in-vitro
CC[C@H](N)[C@@H](c1ccc(C)cc1)n1cncn1	42915819	JPFGKUSWXVKIDE-QWHCGFSZSA-N	230.315	1.913	0	30	BDAC	in-vitro
CC(=O)Cc1c(O)ccc2ccc(=O)oc12	38876394	XGWKFCJKTXZLOL-UHFFFAOYSA-N	218.208	1.630	0	30	BDAC	
COC(=O)C[C@H](N)Cc1ccc(OC)cc1	74481603	VEXRGRMUCXWTMY-SNVBAGLBSA-N	223.272	1.128	0	30	BDAC	
CCO[C@H]1CC(=O)[C@H]1Oc1ccccc1	95882046	SRDZRPSVMKJAFI-NWDGAFQWSA-N	206.241	1.812	0	30	BDAC	
Brc1cnc(-c2ncccn2)nc1	137269779	OPCDTJMNGGGEHK-UHFFFAOYSA-N	237.060	1.696	0	30	BDAC	
FC(F)(F)c1ccnc([C@H]2CCNC2)n1	147381048	BSKVXERQVWIOBC-LURJTMIESA-N	217.194	1.572	0	30	BDAC	
CCOC(=O)c1n[nH]c(-c2ccccc2)c1O	66054660	DUXVGFRPMKRJDQ-UHFFFAOYSA-N	232.239	1.959	0	30	BDAC	
COc1nnc(Cl)cc1Br	84312349	YJSKEMKLLDTJHJ-UHFFFAOYSA-N	223.457	1.901	0	30	BDAC	in-vitro
Cc1ccc(C(=O)NCC2CC2)cc1N	22168152	TXLSMABMMPHUCH-UHFFFAOYSA-N	204.273	1.717	0	30	BDAC	in-vitro
CCSc1ccc(C(=O)NCC(=O)O)cc1	40414	BOCNTSOYJLZCSR-UHFFFAOYSA-N	239.296	1.613	0	30	BDAC	
CNC[C@@H]1CCCN(c2cncc(C)n2)C1	14989040	CBRQUNBWUQBINE-NSHDSACASA-N	220.320	1.221	0	30	BDAC	in-vitro
CSc1nc(N)n(-c2ccccc2)n1	164489	BBKFWNMLFVXYLO-UHFFFAOYSA-N	206.274	1.571	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H]2OCC[C@@H]21	306494254	AZVUIRLOAUPNHF-GUBZILKMSA-N	243.303	1.146	0	30	BDAC	
COC(=O)[C@@](C)(N)c1ccccc1Cl	37459663	VIEHJOWDLHVIEX-JTQLQIEISA-N	213.664	1.687	0	30	BDAC	
COC(=O)[C@@H](C)C[SiH2]C(Cl)Cl	201151412	AWONIWSSMNWIBX-BYPYZUCNSA-N	215.152	1.144	0	30	BDAC	
COc1ccc(C[C@@H]2CCCN2)cc1OC	11630861	PVZYPDMLAMMCDC-NSHDSACASA-N	221.300	1.998	0	30	BDAC	in-vitro
Oc1cc(Br)c2c(c1)OCO2	33835523	YAEAJMPXHUHZLX-UHFFFAOYSA-N	217.018	1.883	0	30	BDAC	
COC(OC)c1cn(O)c2ccccc2[n+]1=O	585138892	ZIDUHFHCHNSOCD-UHFFFAOYSA-N	237.235	1.085	0	30	BDAC	
COC(=O)C[C@@H]1C(=O)C[C@H]1OC(C)(C)C	1535543645	MFZVZUCYJXGXED-VXNVDRBHSA-N	214.261	1.322	0	30	BDAC	
COC1(c2cccc(C(=O)O)c2)COC1	1536221846	KZSUCQKROYLDGL-UHFFFAOYSA-N	208.213	1.257	0	30	BDAC	
Nc1noc(Cc2ccc(F)cc2F)n1	87467181	BPAKKPGGEYDIJW-UHFFFAOYSA-N	211.171	1.521	0	30	BDAC	
Cc1sc(-c2cnccn2)nc1CC(=O)O	12340490	LDMWVSWWOLQZDY-UHFFFAOYSA-N	235.268	1.536	0	30	BDAC	
NNc1cccc([C@H](F)C(F)(F)F)n1	2265385750	ORWYRAKLAOZKLB-LURJTMIESA-N	209.146	1.940	0	30	BDAC	
CC(=O)n1nccc1-c1nccnc1C	143089	VAEXWMXKIAJGAL-UHFFFAOYSA-N	202.217	1.309	0	30	BDAC	
COC(=O)[C@H](CN)c1c[nH]c2ccccc12	21990077	SXWBIFYGTMDPFI-SECBINFHSA-N	218.256	1.383	0	30	BDAC	
C[C@H](C(=O)O)N1CCc2ccccc2C1=O	36221936	GAZRHHSNADWMDB-MRVPVSSYSA-N	219.240	1.158	0	30	BDAC	
Cc1cc(F)ccc1N1CCC[C@@H](N)C1=O	68575111	WAGKQOPBNXIWDM-SNVBAGLBSA-N	222.263	1.588	0	30	BDAC	
CN1CCN(c2cccc(F)c2C=O)CC1	38846831	JGHMLZKNTBZPQC-UHFFFAOYSA-N	222.263	1.390	0	30	BDAC	
CC(C)(C)OC(=O)CNCC(F)(F)F	37394238	SRTAWWMBAQECIZ-UHFFFAOYSA-N	213.199	1.480	0	30	BDAC	
O=S(=O)(O)[C@@H]1CCCc2ccccc21	33506373	BGLLQCPSNQUDKF-SNVBAGLBSA-N	212.270	1.952	0	30	BDAC	
O=C1Cc2nc(Br)ccc2CN1	95764240	VISWDPLZEHVTRA-UHFFFAOYSA-N	227.061	1.016	0	30	BDAC	
O=C(OCc1ccccc1)N1C[C@H]2NCC[C@@H]21	218579710	YBLYJVWXMJIJDA-NEPJUHHUSA-N	232.283	1.369	0	30	BDAC	
C[C@@H](C(=O)O)c1cc2ccccc2[nH]c1=O	140956024	KHSAHVMWMVKEIN-SSDOTTSWSA-N	217.224	1.716	0	30	BDAC	
CCOC(=O)c1sc(CCN)nc1C	11887488	BAUDCBMKSKBQFJ-UHFFFAOYSA-N	214.290	1.129	0	30	BDAC	
Cc1ccc(C(=O)O)c(NC(=O)N(C)C)c1	39110445	WLESFLMJHKKDAY-UHFFFAOYSA-N	222.244	1.787	0	30	BDAC	
CNCC1=CN(C(=O)OC(C)(C)C)CCO1	1532500212	JWTUPYKXBUHIQN-UHFFFAOYSA-N	228.292	1.315	0	30	BDAC	
CCOC(=O)c1cc[nH]c(=O)c1Cl	47203112	JSWVYTKRQAHONO-UHFFFAOYSA-N	201.609	1.205	0	30	BDAC	
CNc1cc(Br)cnc1OC	95642102	MGQHONFDPNZPIX-UHFFFAOYSA-N	217.066	1.894	0	30	BDAC	
CCOC(=O)[C@@H]1CNC[C@H]2CCCC[C@H]21	258066725	TVVSTLWLDOBLBA-GMTAPVOTSA-N	211.305	1.575	0	30	BDAC	
Cc1ncccc1C(=O)c1c[nH]c(C(=O)O)c1	607716617	WSXFNTIBVMZGJU-UHFFFAOYSA-N	230.223	1.647	0	30	BDAC	
O=C(O)[C@H]1CCc2nc(C3CC3)ncc2C1	82368585	SPRNTFAESUUJJW-QMMMGPOBSA-N	218.256	1.544	0	30	BDAC	
Cn1c(Br)cc2c1CCNC2=O	84303987	AACCXOOUHVEDIO-UHFFFAOYSA-N	229.077	1.074	0	30	BDAC	
Cc1cccc(N2CCCNC(=O)C2)c1	259153800	BWUVBMMWZMQLFK-UHFFFAOYSA-N	204.273	1.321	0	30	BDAC	
O=C(O)c1cc(Br)n2c1CCC2	211834387	UPMRPDZHVMYLTC-UHFFFAOYSA-N	230.061	1.895	0	30	BDAC	
CC(C)(C)OC(=O)N1CC([S@](C)(=N)=O)C1	1536221616	XBAGTXLLGNUZGR-OAHLLOKOSA-N	234.321	1.282	0	30	BDAC	
CCOC(=O)c1cnn(C2CCCC2)c1N	40927492	XAMABJRYYIAABD-UHFFFAOYSA-N	223.276	1.757	0	30	BDAC	in-vitro
S=C1CNCCN1Cc1ccccc1	39075583	MYWKXLZYJQXRTN-UHFFFAOYSA-N	206.314	1.419	0	30	BDAC	
OCc1cnc(-c2cc(F)cc(F)c2)nc1	35323417	AXTJWWYPLLLPQV-UHFFFAOYSA-N	222.194	1.914	0	30	BDAC	
Cc1ccc(S(=O)(=O)C23CC2C3)cc1	34734018	PDNMOVXVLOFEBV-UHFFFAOYSA-N	208.282	1.931	0	30	BDAC	
CN(C)c1cc(C(F)(F)F)cnc1C(N)=S	36047237	IFTREIAAKZVXGT-UHFFFAOYSA-N	249.261	1.801	0	30	BDAC	
CN(C)C(=S)NCc1ccc(F)cc1	103943	VSQZXVQAIQKMRE-UHFFFAOYSA-N	212.293	1.762	0	30	BDAC	
CCOC(=O)C1=NO[C@@H](OCC)CC1	36467044	ZFRDVXUWZIEVIT-MRVPVSSYSA-N	201.222	1.079	0	30	BDAC	
CCOC(=O)c1nocc1Br	26547667	GLTWBIWDOCPSEH-UHFFFAOYSA-N	220.022	1.614	0	30	BDAC	
CCOC(=O)c1nc(C)[nH]c1Br	260801325	RRPWIJZZAZKDMM-UHFFFAOYSA-N	233.065	1.657	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](N)CC12CC2	687826864	IJJRQHGQGVOOTP-VIFPVBQESA-N	226.320	1.877	0	30	BDAC	
Cc1cc(C=O)c(C)n1-c1ccnn1C	2265385367	OIKACPVGAMTVHS-UHFFFAOYSA-N	203.245	1.640	0	30	BDAC	
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)C1=O	100133609	LHRNYUFQFHMAMM-ZJUUUORDSA-N	211.305	1.762	0	30	BDAC	
CC(C)(C)OC(=O)C1(C(N)=S)CCOCC1	400165771	KUIZSMPBFGATOX-UHFFFAOYSA-N	245.344	1.411	0	30	BDAC	
Brc1ncc(C2OCCO2)s1	44231702	HSHXDXOLCIWTDN-UHFFFAOYSA-N	236.090	1.951	0	30	BDAC	
O=C(O)c1cc(O)cc(OC(F)(F)F)c1	96034631	ODXFYLCLJCPTLB-UHFFFAOYSA-N	222.118	1.989	0	30	BDAC	
CO[C@H](Cc1ccccc1)[C@H](C)C(=O)O	96029527	BWVGRRPSIBTFCM-GXSJLCMTSA-N	208.257	1.965	0	30	BDAC	
NN1Cc2ccc(Br)cc2C1=O	238651917	YIVRZXPVJQRWCW-UHFFFAOYSA-N	227.061	1.279	0	30	BDAC	
NS(=O)(=O)c1cc2c(cc1Cl)CCC2	536953265	GTXYUVKEZKYMEH-UHFFFAOYSA-N	231.704	1.476	0	30	BDAC	
CC[C@]1(c2ccc(N)cc2)CC(=O)N(C)C1=O	5140042	XLADWPWIZJWNRM-CYBMUJFWSA-N	232.283	1.305	0	30	BDAC	
COc1ccccc(Br)c1=O	32131777	SZPQJNFNDBNPHH-UHFFFAOYSA-N	215.046	1.818	0	30	BDAC	
COC(=O)c1c(N)ccc(OC)c1OC	95760936	DUHBPHGFVPNYHK-UHFFFAOYSA-N	211.217	1.073	0	30	BDAC	
CCNC[C@H](C)NC(=O)OC(C)(C)C	216716643	VJRACYXJGFHJHI-QMMMGPOBSA-N	202.298	1.509	0	30	BDAC	in-vitro
CCS(=O)(=O)c1ccc([C@@H](C)N)cc1	3705660	PECBAIJATAJPMN-MRVPVSSYSA-N	213.302	1.500	0	30	BDAC	in-vitro
CCN(CC)c1cccc(NS(C)(=O)=O)c1	2562567	LSYOTQKXIPGLDP-UHFFFAOYSA-N	242.344	1.904	0	30	BDAC	
CCc1c(C)nn(C(=O)C(C#N)=CN(C)C)c1C	4060713	NAHFBGLGGMXDAP-UHFFFAOYSA-N	246.314	1.672	0	30	BDAC	
COc1ccc([N+](=O)[O-])c2c(CCN)c[nH]c12	39400847	ORKCVMGBTXXRSW-UHFFFAOYSA-N	235.243	1.586	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@@H]2[C@H]1C(=O)O	2265384668	HBLBLUNEVYQKEG-JQCXWYLXSA-N	241.287	1.620	0	30	BDAC	
c1ccc(CN2C[C@@H]3CNCC[C@H]32)cc1	250644068	IKSVZAZIOXSKBR-QWHCGFSZSA-N	202.301	1.480	0	30	BDAC	
O=c1[nH]c(S)nc2ccc(Cl)cc12	370352	RXWIQURSYQCLTG-UHFFFAOYSA-N	212.661	1.865	0	30	BDAC	
CC(C)Cn1ncnc1Br	83985202	KADGVJIIKWUHEV-UHFFFAOYSA-N	204.071	1.697	0	30	BDAC	
O[C@H]1CC[C@]23CC[C@@H](O)C[C@]2(COC3)C1	379712049	IKIUSBRRDAMWCI-IWDIQUIJSA-N	212.289	1.079	0	30	BDAC	
COC(=O)C=Cc1cc(F)c(C=O)c(F)c1	2265312931	GDGULTXZDPTNNZ-UHFFFAOYSA-N	226.178	1.964	0	30	BDAC	
COCc1cc(=O)n2nc(-c3ccco3)cc2[nH]1	15919746	JMQXETIBBNPDPI-UHFFFAOYSA-N	245.238	1.429	0	30	BDAC	
Cc1cc(-c2onc(C)c2C(N)=S)no1	122748	AYBGDDHXVCCNDB-UHFFFAOYSA-N	223.257	1.581	0	30	BDAC	
O=C(Nc1ccc2c(c1)OCCO2)c1ccno1	147916	OAMGZMQREQARBF-UHFFFAOYSA-N	246.222	1.698	0	30	BDAC	
CN1CCC(N2CCCC[C@@H]2C(=O)O)CC1	73999011	FRFHGSFKSJQOMO-LLVKDONJSA-N	226.320	1.020	0	30	BDAC	
CC1(C)O[C@@H]2OCCO[C@@H]2OC1(C)C	32231254	DKDKQWHTKRTRMX-OCAPTIKFSA-N	202.250	1.289	0	30	BDAC	
CCOC(=O)[C@H](N)[C@@H](C)c1ccccc1	41046466	JJJCCMPPURKHIM-GXSJLCMTSA-N	207.273	1.681	0	30	BDAC	
NS(=O)(=O)c1c[nH]c2cc(Cl)ccc12	757136032	KXDZRMDWFBBUBT-UHFFFAOYSA-N	230.676	1.469	0	30	BDAC	
C[C@@H](N)CC1CN(C(=O)OC(C)(C)C)C1	107454138	MKPSIBMCFWUOIA-MRVPVSSYSA-N	214.309	1.591	0	30	BDAC	
N[C@@H]1COc2cc(F)c(Br)cc21	116924305	UDMDMXVIJMFYRG-SSDOTTSWSA-N	232.052	1.980	0	30	BDAC	
COc1ccc(C[S@](=O)C[C@H](C)O)cc1	216605035	UZJIFXWUESBQGY-BJOHPYRUSA-N	228.313	1.325	0	30	BDAC	
COC(=O)[C@H]1C[C@H](C(F)(F)F)CCC1=O	261508327	RKXNVWAQNWFPEV-RITPCOANSA-N	224.178	1.707	0	30	BDAC	
CCC(=O)c1ccc(NC(C)=O)cc1O	134604	OWCNKWDTKTZBJL-UHFFFAOYSA-N	207.229	1.943	0	30	BDAC	
O=C1C=C[C@H]2CO[C@H](c3ccccc3)N12	12505309	GYAPIMIROZBAGG-CMPLNLGQSA-N	201.225	1.482	0	30	BDAC	in-vitro
CCOC(=O)[C@H](O)CCCc1ccccc1	84379529	GMUMCPXYFSFMLG-GFCCVEGCSA-N	222.284	1.933	0	30	BDAC	in-vitro
CC(C)NC[C@@H](O)COc1ccc(O)cc1	2000969	ADUKCCWBEDSMEB-LLVKDONJSA-N	225.288	1.130	0	30	BDAC	
CC(C)(C)OC(=O)N[C@](C)(C(=O)O)C(F)F	698789123	VXRNTACBEWCPSU-VIFPVBQESA-N	239.218	1.620	0	30	BDAC	
NC(=O)N1CC[C@@]2(CCc3ccccc32)C1	871626852	XEIBMMBKUMETSE-ZDUSSCGKSA-N	216.284	1.655	0	30	BDAC	
CCOc1ncccc1N1CCOCC1	45805750	IWEVHEHCDRZAOJ-UHFFFAOYSA-N	208.261	1.317	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H](CN)C12CC2	258022504	FVVGHEDRHRKRSN-VIFPVBQESA-N	226.320	1.735	0	30	BDAC	
N[C@H](Cc1ccc(OC(F)F)cc1)C(=O)O	3223656	ITFQXKAULLPDSW-MRVPVSSYSA-N	231.198	1.242	0	30	BDAC	
CC[C@@H]1Cc2ccccc2CN1C(=N)NO	39102114	WLPFGAAYVYZNCH-LLVKDONJSA-N	219.288	1.737	0	30	BDAC	
Cc1nc(-c2cccnc2)nc(NN)c1C	51153650	RPTLMRBCRJEOOD-UHFFFAOYSA-N	215.260	1.441	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(CCCN)C1	82967294	PCVWQHKPZXIGDH-UHFFFAOYSA-N	214.309	1.592	0	30	BDAC	in-vitro
CCOC(=O)NC(=S)NC(C)(C)C	4366844	XMRXYRDVVXGYPX-UHFFFAOYSA-N	204.295	1.406	0	30	BDAC	
NC1CCN(c2cccc3[nH]c(=O)oc23)CC1	75169358	IXNBAZVWVAXVCS-UHFFFAOYSA-N	233.271	1.049	0	30	BDAC	
CN(C)C(=O)[C@H](F)C(=O)c1ccccc1	1496854	AYDOOGVAQHGSBP-SECBINFHSA-N	209.220	1.296	0	30	BDAC	
CS(=O)(=O)Nc1ccc(N)c(Cl)c1	36288483	DQKHDQYJIUEXIV-UHFFFAOYSA-N	220.681	1.294	0	30	BDAC	in-vitro
CCOC(=O)[C@H](N)CCOC(C)(C)C	62542975	DEOFTTGTTLMCOY-MRVPVSSYSA-N	203.282	1.082	0	30	BDAC	
CCOC(=O)[C@]12CCCCC[C@@H]1NC(=O)C2	1535641153	RXWPOBMLSMGTKY-CABZTGNLSA-N	225.288	1.389	0	30	BDAC	
CN1CCC(C2=NO[C@H]3NCCCC=C23)CC1	38805209	VKETYIRKRDHWGJ-CYBMUJFWSA-N	235.331	1.350	0	30	BDAC	
CCOC(=O)[C@H](N)Cc1c(F)ccc(F)c1F	96835681	HUUFPJGOGBHXDZ-SECBINFHSA-N	247.216	1.537	0	30	BDAC	
COc1cc(NC(C)=O)c(C)c(NC(C)=O)c1	39124218	WUAMNYHDARSNGE-UHFFFAOYSA-N	236.271	1.920	0	30	BDAC	
C[C@H](N)C(C)(C)NC(=O)OC(C)(C)C	83591936	KWXYYVJRXOWPAP-ZETCQYMHSA-N	202.298	1.637	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CC12CC(O)C2	642875757	KMGGWGCCFJVMAM-KAIZJQOQSA-N	213.277	1.425	0	30	BDAC	
CC(=NO)c1ccccc1NS(C)(=O)=O	393662629	ARYZMPLKWBJKSV-UHFFFAOYSA-N	228.273	1.256	0	30	BDAC	
COc1ccc(C2=CC(=O)OC2)cc1C(C)=O	5438676	PTNTZAYEADFZLE-UHFFFAOYSA-N	232.235	1.838	0	30	BDAC	
Cn1ncc([S@](=O)O)c1C(F)(F)F	675062800	PHQLXZBJOZEWIM-UHFFFAOYSA-N	214.168	1.020	0	30	BDAC	
CN(C)CCOc1ccc(Cl)nn1	1699011	ICFLXHWVQULLAJ-UHFFFAOYSA-N	201.657	1.070	0	30	BDAC	
O=C1C[C@H](Cc2ccc3c(c2)OCO3)CO1	38302264	VDOASTUDMBVJNF-VIFPVBQESA-N	220.224	1.521	0	30	BDAC	
COc1cnn([C@@H]2CCCOC2)c(=O)c1Cl	91366076	RSIGJIFJRZTISC-SSDOTTSWSA-N	244.678	1.257	0	30	BDAC	
CNC[C@@H]1CCCN(C)[C@H]1c1cncn1C	250705345	DTXKSRFYXPSZIY-CMPLNLGQSA-N	222.336	1.022	0	30	BDAC	
Fc1cncnc1I	307554243	GTUNGQPSTPBUSV-UHFFFAOYSA-N	223.976	1.220	0	30	BDAC	
CN(C(=O)OC(C)(C)C)c1nccc(=O)[nH]1	95936494	YEASHHLMVUDZSN-UHFFFAOYSA-N	225.248	1.141	0	30	BDAC	
COC(Cc1[nH]ncc1Br)OC	238341250	NTFVAQKPVHWNHG-UHFFFAOYSA-N	235.081	1.334	0	30	BDAC	
CN(C)C(=O)c1ccc(Br)cc1O	44490512	XTDKZCLZWZIPGN-UHFFFAOYSA-N	244.088	1.857	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N[C@@H]1CCC=CC1=O	147584689	SOBOAQXEAWHDLU-MRVPVSSYSA-N	211.261	1.799	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2	685945607	FAYATNZNPIOEGX-CABZTGNLSA-N	226.320	1.653	0	30	BDAC	
COC[C@@H](OCc1ccccc1)C(=O)O	229323174	OLBKHRMXYSJVSN-SNVBAGLBSA-N	210.229	1.303	0	30	BDAC	
C[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O	96330626	ZZQKEINORXICEN-IUCAKERBSA-N	243.303	1.193	0	30	BDAC	
CN(C)C=CC(=O)Nc1ccc(F)cc1F	2265233894	MSRNIHHPTVPGRO-UHFFFAOYSA-N	226.226	1.979	0	30	BDAC	
O=C(O)[C@H]1C[C@](O)(Cc2cccc(F)c2)C1	2265384732	QRWZVUUAIPQNOR-WVSHTKLVSA-N	224.231	1.594	0	30	BDAC	
C[C@]12C[C@H](O)[C@@H](O)C[C@@]1(C)[C@H]1CC[C@H]2O1	606574805	ZKTAEPUJVDEYKB-IXAFYFBPSA-N	212.289	1.076	0	30	BDAC	
O=C(O)c1cnc(Oc2ccccc2)nc1	95642153	RQZHEFKBUYPEGH-UHFFFAOYSA-N	216.196	1.967	0	30	BDAC	
CCOC(=O)[C@@H](N)c1c[nH]c2ccccc12	34409063	IVHQNHHFWAQLNC-NSHDSACASA-N	218.256	1.731	0	30	BDAC	
CC(C)(C)OC(=O)NCc1nc(CO)cs1	95630635	HYHQFXXHHIPZIR-UHFFFAOYSA-N	244.316	1.660	0	30	BDAC	
Nc1ncncc1OCc1ccccc1	34266046	KEGMRDBSFSIAAX-UHFFFAOYSA-N	201.229	1.638	0	30	BDAC	
O=C(O)C1=NO[C@@H](c2ccc(F)cc2)C1	259505904	POWGXLBSYQIZOC-SECBINFHSA-N	209.176	1.728	0	30	BDAC	
C[C@H](N)[C@H](O)c1cc(F)cc(Cl)c1	95799190	GAFTVDZYKAATRP-CDUCUWFYSA-N	203.644	1.860	0	30	BDAC	
CCCCCCN1C(=O)[C@H]2N=NC[C@H]2C1=O	101415910	BMZFSCYIQIFSQJ-BDAKNGLRSA-N	223.276	1.386	0	30	BDAC	
CC(=O)NCCCC(=O)c1cccnc1	2509731	NCIHQUHJWMDNDG-UHFFFAOYSA-N	206.245	1.181	0	30	BDAC	
CCOC(=O)c1ncn(-c2ccc(C)cc2)n1	91369004	SMHFRCKSQJFNKL-UHFFFAOYSA-N	231.255	1.752	0	30	BDAC	
N[C@@H]1CCCC[C@@H]1Nc1ncc(Cl)cn1	95072214	KHQPTAHFOZAQNV-BDAKNGLRSA-N	226.711	1.812	0	30	BDAC	
CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F	107258969	SMVLBVMSJITGKF-YUMQZZPRSA-N	218.272	1.163	0	30	BDAC	
O=C(CCCO)CC(=O)c1ccc(F)cc1	100239301	FAAFEQBIXSTCEQ-UHFFFAOYSA-N	224.231	1.740	0	30	BDAC	
Cn1ccnc1SC[C@H](O)C(F)(F)F	6188098	RBDQUGAJXAVQEW-YFKPBYRVSA-N	226.223	1.435	0	30	BDAC	
N[C@@H](CO)c1cc(F)cc(Br)c1	72198747	IFFYQONBWGTGIG-QMMMGPOBSA-N	234.068	1.580	0	30	BDAC	
CN[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	76675792	JMDRWRUSBCUXJG-JTQLQIEISA-N	228.336	1.995	0	30	BDAC	in-vitro
CCOC(=O)[C@@H](N)[C@H](C)c1ccc(O)cc1	260904129	IHTIEUMAABDZSF-KCJUWKMLSA-N	223.272	1.386	0	30	BDAC	
CCOC(=O)C1(c2ccc(O)cc2)CC1	142873776	FOMNACSNJGTOCF-UHFFFAOYSA-N	206.241	1.987	0	30	BDAC	
O=C(O)c1nc(-c2ccc3c(c2)OCO3)no1	20269071	UAFBUFJWLDGVHZ-UHFFFAOYSA-N	234.167	1.164	0	30	BDAC	
CCO[C@@H]1OCc2c(F)nc(C)c(O)c21	39100016	KYUZLCMOIIWOJF-SNVBAGLBSA-N	213.208	1.800	0	30	BDAC	
CCOC(=O)[C@@H](N)[C@@H](C)c1ccc(OC)cc1	260734530	FDTJMWPMVHSUAM-CABZTGNLSA-N	237.299	1.689	0	30	BDAC	
CC(=O)Nc1ccc(-c2c[nH]c(=O)cn2)cc1	26399827	HKRDYSUZYCDGCG-UHFFFAOYSA-N	229.239	1.395	0	30	BDAC	
OCC12CC(COCc3ccccc3)(CO1)C2	958538000	NYTPPMYKYKZOEF-UHFFFAOYSA-N	234.295	1.745	0	30	BDAC	
O=C(O)[C@H](O)c1ccc(O)c(Cl)c1	33606201	VDBWQCRJTMKEMJ-SSDOTTSWSA-N	202.593	1.164	0	30	BDAC	
NC[C@H]1COC(=O)N1c1ccc(Cl)cc1	222082152	QGTWMRUCFCOWFF-VIFPVBQESA-N	226.663	1.624	0	30	BDAC	
Nc1ccccc1SCc1ncon1	20254079	PECMZEOYSREQQN-UHFFFAOYSA-N	207.258	1.944	0	30	BDAC	
c1ccc2c(c1)CNC[C@]1(CCOC1)O2	950757446	DTPQOLDZVVITGV-LBPRGKRZSA-N	205.257	1.328	0	30	BDAC	
C[C@H](NN)c1ccc(C(F)(F)F)cn1	127175425	WHYIQPPCNMQAQY-YFKPBYRVSA-N	205.183	1.625	0	30	BDAC	
NC(=S)c1ncccc1Br	133013290	RVSIBJIVOFWJRC-UHFFFAOYSA-N	217.091	1.478	0	30	BDAC	
O=C1C(c2ccccc2O)=CC=C[C@H]1O	100094505	QALSQFPMUVNNBI-LLVKDONJSA-N	202.209	1.275	0	30	BDAC	
CCOc1ccc(C2=NNC(=O)C2)cc1	100253947	QKJUYIIKALRPSP-UHFFFAOYSA-N	204.229	1.309	0	30	BDAC	
COC(=O)c1cnn2cc(OC)ccc12	204027252	HCDJLEBYDRJYRO-UHFFFAOYSA-N	206.201	1.130	0	30	BDAC	
CCOC(=O)[C@@H](CC)NC(=O)OC(C)(C)C	105513792	JFAPXRSEKIGSOM-MRVPVSSYSA-N	231.292	1.853	0	30	BDAC	
C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F	139065862	HIVJJBUFQGEXBV-RITPCOANSA-N	243.225	1.823	0	30	BDAC	
Cc1cc(N2CC[C@@H](CO)C2)ccc1F	82945965	KGWPQLZZDAFDEM-SNVBAGLBSA-N	209.264	1.953	0	30	BDAC	
COC(=O)[C@H](N)c1cccc(F)c1F	82523072	SGUAWIBDAFYDGW-MRVPVSSYSA-N	201.172	1.138	0	30	BDAC	
NS(=O)(=O)c1ccc2onc(Cl)c2c1	238854582	OLCBOEBSSAEGNG-UHFFFAOYSA-N	232.648	1.129	0	30	BDAC	
O=NN1CCC(O)(c2ccccc2)CC1	238655501	QAESAJLGTZSUMH-UHFFFAOYSA-N	206.245	1.651	0	30	BDAC	
CCCC(=O)N[C@@H](CCSC)C(=O)O	19399177	NZIOTNYOYJRBSN-ZETCQYMHSA-N	219.306	1.109	0	30	BDAC	
CCOC(=O)c1ncc2nc(C)cc(C)n12	32220085	UNWPZGBWVKXRRP-UHFFFAOYSA-N	219.244	1.523	0	30	BDAC	
CCCn1c(C(F)(F)F)ccc(N)c1=O	32629174	MPNAKLSUSSGYHH-UHFFFAOYSA-N	220.194	1.859	0	30	BDAC	in-vitro
COc1ccc2c(CC(=O)O)noc2c1	19946276	TZLJEDAIUFXFRE-UHFFFAOYSA-N	207.185	1.464	0	30	BDAC	
CN1CC[C@@H](c2ccccc2)C[C@H]1C(=O)O	238854033	MFDXFGCQIALBKU-NEPJUHHUSA-N	219.284	1.949	0	30	BDAC	
COCCOC1CCC(C(=O)O)CC1	98182850	CEMIQXJQJBRGKY-UHFFFAOYSA-N	202.250	1.293	0	30	BDAC	in-vitro
O=C(O)c1cc2nccc(C(F)F)n2n1	232308066	MEPMEQHYWCUMJL-UHFFFAOYSA-N	213.143	1.365	0	30	BDAC	
O=C1CC[C@@H](C(=O)O)c2ccccc2N1	148401404	OGRMVNGOKYWTMR-MRVPVSSYSA-N	205.213	1.587	0	30	BDAC	
COC(=O)c1cccc(OC[C@@H](C)N)c1	259586325	PDPBOYVYRHXPGE-MRVPVSSYSA-N	209.245	1.199	0	30	BDAC	
O=C(O)C[C@@H](O)COCc1ccccc1	34569646	TYPNZNYQWFIUOK-SNVBAGLBSA-N	210.229	1.039	0	30	BDAC	in-vitro
NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O	83777317	AKWFXFCXGOXDND-STQMWFEESA-N	223.291	1.858	0	30	BDAC	
CCOC(=O)[C@]1(N)Cc2ccc(Cl)cc2C1	95642879	YSKZOOQTXATSJP-LBPRGKRZSA-N	239.702	1.699	0	30	BDAC	
CCCCNCCc1ncnc2nc[nH]c12	198478620	SFIHNICGVHIFLK-UHFFFAOYSA-N	219.292	1.285	0	30	BDAC	
O=C(O)[C@H]1CCc2ncc(Br)n2C1	211420889	GKNACKNJTCCODY-YFKPBYRVSA-N	245.076	1.293	0	30	BDAC	
CCCC[C@H](CC)[C@H]1OC[C@H](CO)O1	5647207	VNMRSUHVTDURNJ-DCAQKATOSA-N	202.294	1.937	0	30	BDAC	
CCc1ccc(CNCC(OC)OC)cc1	37388285	RRLAEWQPLUJNFR-UHFFFAOYSA-N	223.316	1.958	0	30	BDAC	in-vitro
OCCc1ccnc(Br)c1	84284988	KUVLYVLUQDQVDS-UHFFFAOYSA-N	202.051	1.379	0	30	BDAC	
CC(C)(C)OC(=O)NC1CC(NC2CC2)C1	87651013	OMOAOQRGTLHYOY-UHFFFAOYSA-N	226.320	1.794	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](CN)[C@H]2C1	250585725	GBPFKXPJCJSCBK-OUAUKWLOSA-N	240.347	1.838	0	30	BDAC	
CCCCCC1=CC=C(C(=O)O)[C@@H](O)[C@H]1O	6661686	HDNLKEAXAZXFKE-WDEREUQCSA-N	226.272	1.240	0	30	BDAC	
Cc1nc(-c2ccccn2)nc(NN)c1C	51153662	DGDLMEXYUFJZTB-UHFFFAOYSA-N	215.260	1.441	0	30	BDAC	
CCOC(=O)c1n[nH]c([C@H](O)c2ccccc2)n1	88611708	VNEPAABHYGJRHF-SECBINFHSA-N	247.254	1.063	0	30	BDAC	in-vitro
COC(=O)[C@@H]1C(C)=NO[C@H]1c1ccccc1	100135683	LIPYUHCJONZPBY-MNOVXSKESA-N	219.240	1.923	0	30	BDAC	
Cc1ccc(Cn2nnnc2S)cc1	104591	BYYZUIHQSDOHHN-UHFFFAOYSA-N	206.274	1.319	0	30	BDAC	
Cc1c(F)ccc(S(N)(=O)=O)c1C	307152928	BELWVTSBUAOCEC-UHFFFAOYSA-N	203.238	1.090	0	30	BDAC	
CC(C)(C)OC(=O)N1CCO[C@H](C(C)(C)O)C1	1535949021	AYAMMHUWFRKYBA-VIFPVBQESA-N	245.319	1.393	0	30	BDAC	
CCOC(=O)C[C@H]1OC(=O)C(O)=C1CC	34535321	JFHGNVVRFMTLGO-SSDOTTSWSA-N	214.217	1.087	0	30	BDAC	
O=c1[nH]cnc2c(-c3ccccc3)noc12	238635281	DPIMJNAXJMQSOO-UHFFFAOYSA-N	213.196	1.578	0	30	BDAC	
COc1cc(=O)[nH]c(-c2ccccc2)n1	39121154	ISNOBWDIOHJVOD-UHFFFAOYSA-N	202.213	1.446	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2C(=O)C[C@@H]21	202666972	PJADABYYIMBUQR-YUMQZZPRSA-N	211.261	1.585	0	30	BDAC	
COc1ccc(-c2cc(C(=O)O)[nH]c(=O)c2)cc1	84073081	OCOXKVNXPHGWAE-UHFFFAOYSA-N	245.234	1.749	0	30	BDAC	
O=C1NC(=O)c2c1cccc2C1CCNCC1	95093053	KUPMEJNGWXKAHI-UHFFFAOYSA-N	230.267	1.037	0	30	BDAC	
O=C1CNC[C@@H]2c3ccccc3CCCN12	34317345	SJRRUSANHUTZMQ-GFCCVEGCSA-N	216.284	1.106	0	30	BDAC	
Cc1sc(C)c(C(=O)O)c1C(=O)O	140151304	HDMKLCYWTZAXEN-UHFFFAOYSA-N	200.215	1.761	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1C=C[C@H](N)CC1	39093651	GDUXFJMJXLLJPW-IUCAKERBSA-N	212.293	1.557	0	30	BDAC	
NC1CCN(c2nccc(Cl)n2)CC1	12953755	TWQNYALLXKLRFY-UHFFFAOYSA-N	212.684	1.058	0	30	BDAC	
O=C(O)CCC(=O)Oc1ccc(O)cc1	75618776	WWNJFLXSWWIOGS-UHFFFAOYSA-N	210.185	1.162	0	30	BDAC	
C1CCc2nnc([C@H]3CC34CCNCC4)n2CC1	71790263	FLRDEDACVZOAKE-LLVKDONJSA-N	246.358	1.862	0	30	BDAC	in-vitro
CNCCC1=C(C)C(=O)C(=O)C(C)=C1C	39096605	USLUZQSABSWQIL-UHFFFAOYSA-N	207.273	1.401	0	30	BDAC	
CCOC(=O)[C@H](N)Cc1c(F)cccc1F	44339780	MCVJOZJBVQCTIG-SNVBAGLBSA-N	229.226	1.398	0	30	BDAC	
CC(C)(C)n1ncc2c(N)nc(Cl)nc21	82499817	OGNQATMMKXSUEL-UHFFFAOYSA-N	225.683	1.817	0	30	BDAC	
CO[C@@H](Cc1ccccc1)[C@@H](C)C(=O)O	96029529	BWVGRRPSIBTFCM-KOLCDFICSA-N	208.257	1.965	0	30	BDAC	
O=C(O)CCCN1CCC(F)(F)CC1	259418492	INWDBWRAPAPANU-UHFFFAOYSA-N	207.220	1.582	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](CO)[C@@H]2C1	211788720	JFAKHELXPGAHHG-HBNTYKKESA-N	241.331	1.872	0	30	BDAC	
Nc1ccccc1[S@](=O)C(F)(F)F	42194609	OAFZTOSGYXTPME-CYBMUJFWSA-N	209.192	1.896	0	30	BDAC	
COC(=O)[C@@](C)(N)Cc1ccc(F)cc1	57496501	ZGLCWUAEHZXXBE-NSHDSACASA-N	211.236	1.259	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1CC(=O)CCO1	1535639536	MBEZHMVGIDYIBE-VIFPVBQESA-N	229.276	1.259	0	30	BDAC	
O=C(O)C(=O)CCc1ccc(Cl)cc1	34157288	HNZMKKXVFZVKII-UHFFFAOYSA-N	212.632	1.926	0	30	BDAC	
CCOC(=O)[C@H]1C[C@H](C(F)(F)F)CCN1	716768562	LYYMARWKSIBKPA-RNFRBKRXSA-N	225.210	1.480	0	30	BDAC	
CN[C@H](C(=O)O)C(C)(C)c1ccccc1	113093037	CKYHTFZEVIWYBR-SNVBAGLBSA-N	207.273	1.637	0	30	BDAC	in-vitro
COC(=O)C/C(=C/c1cccnc1)C(=O)O	1592055991	XBQBPZQKNBFKJJ-UITAMQMPSA-N	221.212	1.113	0	30	BDAC	
COC(=O)C1([C@H]2CCCNC2)CC(F)(F)C1	260345229	VYCNAOYBZIYLCK-QMMMGPOBSA-N	233.258	1.575	0	30	BDAC	
CCS[C@@H]1O[C@@H](C)[C@H](O)[C@H]2OC(C)(C)O[C@@H]12	39171502	MFKXLPULGXBOJW-OEZYJKACSA-N	248.344	1.365	0	30	BDAC	
COC(=O)[C@H](C)N(C)C(=S)C(C)C	39124947	XKMSDLIPTTVSDF-ZETCQYMHSA-N	203.307	1.463	0	30	BDAC	
CC(C)C[C@H](ONC(=O)OC(C)(C)C)C(=O)O	230826117	VISUHONLYVGLKN-QMMMGPOBSA-N	247.291	1.942	0	30	BDAC	
COc1ccc2c(c1)C(=O)NCCS2	66349430	GYYTWZZEOQZZDK-UHFFFAOYSA-N	209.270	1.531	0	30	BDAC	
CC(C)(C)OC(=O)N1CC([C@H]2CC[C@H]2N)C1	95836139	QNLRPEHTOVOWAR-NXEZZACHSA-N	226.320	1.591	0	30	BDAC	
C[C@H]1CNCCN1c1nc2ccccc2o1	54375380	VRQKFPGRVSUBEV-VIFPVBQESA-N	217.272	1.626	0	30	BDAC	in-vitro
CC(=O)Oc1ccc2c(c1OC(C)=O)OCC2	5166869	CQKXMCFHRBEEAO-UHFFFAOYSA-N	236.223	1.472	0	30	BDAC	
CCO[C@@H]1CC(=O)[C@H]1Oc1ccccc1	95882045	SRDZRPSVMKJAFI-VXGBXAGGSA-N	206.241	1.812	0	30	BDAC	
C[C@@H](CC(=O)O)c1ccc2cncnn12	107374366	FWOJPMYAUOQNNZ-ZETCQYMHSA-N	205.217	1.308	0	30	BDAC	
N[C@@H](CSc1ccc(F)cc1)C(=O)O	1584090	FYPZDFGIJISTBF-QMMMGPOBSA-N	215.249	1.330	0	30	BDAC	
CC(C)(C)OC(=O)NCC(=O)c1ccccn1	90636355	CRHSVPCKCIKTDC-UHFFFAOYSA-N	236.271	1.789	0	30	BDAC	
CC(=O)[C@@H]1C(=O)c2cccc3c2N(CCC3)C1=O	957743243	MRHTWNDUCCEAMT-LLVKDONJSA-N	243.262	1.367	0	30	BDAC	
COC(=O)[C@H]1C(=O)CC[C@H]1c1ccccc1	36460113	FWLLPGIDURYFKA-CMPLNLGQSA-N	218.252	1.922	0	30	BDAC	
NCCCc1ccnc(Br)c1	44281336	BWZNEDHRHQZZBQ-UHFFFAOYSA-N	215.094	1.735	0	30	BDAC	
CCOC(=O)c1nc2cnccc2s1	83967641	YYBXJJAPHASLEA-UHFFFAOYSA-N	208.242	1.868	0	30	BDAC	in-vitro
Cc1cnc2c(C)cc3c(nc(N)n3C)c2n1	5160332	CGOIUAKTSVFOKG-UHFFFAOYSA-N	227.271	1.716	0	30	BDAC	
COc1cccc2c1OC[C@@H]1CON(C)[C@H]21	33629426	BKOLIUJDPAKAHH-KCJUWKMLSA-N	221.256	1.622	0	30	BDAC	
O=C(OCc1ccccc1)N1C[C@@H]2CNC[C@H]2C1	98092186	OQLOYGBBFHCQCX-STQMWFEESA-N	246.310	1.474	0	30	BDAC	
O=C1CC[C@@H]2OC[C@@H](c3ccccc3)N12	4262444	CQPBRZXBXFZYBD-JQWIXIFHSA-N	203.241	1.706	0	30	BDAC	
CC(C)(C)OC(=O)NC/C=C(\F)CO	39093308	DVEMVHCJYUKOPX-DAXSKMNVSA-N	205.229	1.357	0	30	BDAC	
Cc1c(Cl)nc(S(C)(=O)=O)nc1Cl	90411150	PFBXJKYMQNTIEN-UHFFFAOYSA-N	241.099	1.495	0	30	BDAC	
COC(=O)[C@@H](C)c1nnnn1-c1ccccc1C	260881379	VJCQUJJTZOBKSJ-VIFPVBQESA-N	246.270	1.247	0	30	BDAC	
COC(=O)c1ccc(CSCCN)o1	4334503	QWULQPRQZMFWSE-UHFFFAOYSA-N	215.274	1.258	0	30	BDAC	
CC(=O)Nc1cnc(Br)cn1	83891867	XGQSBAVZDNPYPS-UHFFFAOYSA-N	216.038	1.198	0	30	BDAC	
CC(=O)N(C)c1nnc(-c2ccncc2)s1	1356614	BXASUFZTRHXWHK-UHFFFAOYSA-N	234.284	1.583	0	30	BDAC	
CSc1nccc(-c2c[nH]c(C)n2)n1	33358774	QARGDRPWKAEALP-UHFFFAOYSA-N	206.274	1.897	0	30	BDAC	
NCCNC(=S)N[C@@H]1CCc2ccccc21	1554713950	GDLAPLYVJBLIJJ-LLVKDONJSA-N	235.356	1.097	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H](C2(N)CC2)C1	215079745	BLXRERKTGCGAIW-SECBINFHSA-N	226.320	1.735	0	30	BDAC	
Cc1ccccc1Nc1n[nH]c(=O)s1	238481608	ZYNKQFRRBDUIQP-UHFFFAOYSA-N	207.258	1.883	0	30	BDAC	
O=C(C[C@@H]1CCNC1)NCc1ccsc1	84383438	SWHYLXISWFKTGI-VIFPVBQESA-N	224.329	1.364	0	30	BDAC	
CCOC(=O)CCC(=O)NCC(=O)C(C)(C)C	95829608	IVRWKCBKQRNBGT-UHFFFAOYSA-N	243.303	1.061	0	30	BDAC	
COc1cncc(F)c1Br	216714020	LEFHWIXMVFNOPL-UHFFFAOYSA-N	206.014	1.992	0	30	BDAC	in-vitro
O=c1cc2n(c(=O)[nH]1)CCC1=C2CCCC1	533318	HEMFQEGSSFEHBB-UHFFFAOYSA-N	218.256	1.268	0	30	BDAC	
Nc1ccc(N)c2c1[C@@H](O)c1ccccc1[C@H]2O	33611429	BRWUPFWYFPEOMA-OKILXGFUSA-N	242.278	1.328	0	30	BDAC	
NC(=O)[C@H](c1cccnc1)N1CCCCC1	49817297	AFFVBFMPFPCEHM-NSHDSACASA-N	219.288	1.094	0	30	BDAC	
c1cc(CN2CCNCC2)c2[nH]ccc2c1	82968816	YDYRQUQZBIZMTQ-UHFFFAOYSA-N	215.300	1.573	0	30	BDAC	
C[C@H](O)[C@H]1COCCN1C(=O)OC(C)(C)C	212370757	QEHPTNBZJUDZGO-DTWKUNHWSA-N	231.292	1.003	0	30	BDAC	
N[C@H](CCSC(F)(F)F)C(=O)O	2041757	YLJLTSVBCXYTQK-GSVOUGTGSA-N	203.185	1.041	0	30	BDAC	investigational
Cn1ccnc1[C@@H](N)Cc1ccccc1	11848577	HBGVXAOFVOEQFE-NSHDSACASA-N	201.273	1.663	0	30	BDAC	
NC(=O)[C@H](Br)CCBr	117972845	KSWBTPCSMSWWOR-GSVOUGTGSA-N	244.914	1.020	0	30	BDAC	
COCCOCCNc1cccc(O)c1	33610829	DOWWLIAIDNHGRC-UHFFFAOYSA-N	211.261	1.467	0	30	BDAC	
Nc1nnc(C2CCC(F)(F)CC2)o1	127064750	BUQGFUCNVMIMLD-UHFFFAOYSA-N	203.192	1.945	0	30	BDAC	
CCn1cc([C@@H]2OCCC[C@H]2CO)cn1	234222462	WVNNLBHPEQBZEI-GXSJLCMTSA-N	210.277	1.363	0	30	BDAC	
Nc1nncc(-c2ccc(Cl)c(F)c2)n1	242750318	ZLIVRGKGZODVMJ-UHFFFAOYSA-N	224.626	1.913	0	30	BDAC	in-vitro
CCCC[C@@H](C[C@H](C)C(=O)O)C(=O)O	140345540	PAOWIXJMMCDIPE-YUMQZZPRSA-N	202.250	1.988	0	30	BDAC	
COc1ccc(C[S@@](=O)C[C@H](C)O)cc1	216605125	UZJIFXWUESBQGY-VFZGTOFNSA-N	228.313	1.325	0	30	BDAC	
CCN(CC)CCOC(=O)C1C2=C=C1C=C2	223531085	NGWIAGAGDGIZEM-UHFFFAOYSA-N	219.284	1.523	0	30	BDAC	
FC(F)(F)c1ccnc(N2CCOCC2)n1	117313	JTFIFPYMOZOTGH-UHFFFAOYSA-N	233.193	1.332	0	30	BDAC	
CO/C(O)=C/C(=O)OCC(F)(F)F	223688259	BWXFDEKLGCRMDZ-DUXPYHPUSA-N	200.112	1.138	0	30	BDAC	
CO[C@H](C)C(=O)CC(=O)OC(C)(C)C	238392258	KGCWZUUHWOJTDR-SSDOTTSWSA-N	202.250	1.322	0	30	BDAC	
Cn1nc(CN)c(Br)c1Cl	1535640434	IHNPIGLOIMXJNZ-UHFFFAOYSA-N	224.489	1.295	0	30	BDAC	
C=C[C@@H](N[C@H](C(=O)O)c1ccccc1)C(=O)OC	38611074	XPHXXNDGPZIYJP-MNOVXSKESA-N	249.266	1.130	0	30	BDAC	
CCCOCCOCCOCCOCCC	34288755	DSPIZZQMSHIZLS-UHFFFAOYSA-N	234.336	1.873	0	30	BDAC	
Cc1cc(=O)c(O)cn1CC1=NCCS1	34085009	SOHUZOLSNSBQGI-UHFFFAOYSA-N	224.285	1.008	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2C(CN)[C@@H]2C1	103828200	BZUMXXCFQUZQAV-IUCAKERBSA-N	212.293	1.058	0	30	BDAC	
C[C@@H](NC(=O)OC(C)(C)C)C1(CO)CC1	696069002	QFSLBIHRHAQJNT-MRVPVSSYSA-N	215.293	1.672	0	30	BDAC	
CC(C)(C)OC(=O)N1CC2(CC[C@H](CN)C2)C1	307439713	VTDHWGLSAVUTRV-JTQLQIEISA-N	240.347	1.982	0	30	BDAC	
O=C(O)[C@H]1CCCc2cc3c(cc21)OCCO3	28825659	DKTAINRLXYBDQC-VIFPVBQESA-N	234.251	1.962	0	30	BDAC	
COc1ccc2[nH]c(C[C@H](N)C(=O)O)cc2c1	44291862	MPCIVIYETBUBJF-JTQLQIEISA-N	234.255	1.131	0	30	BDAC	
C[C@@H](O)c1cc(Br)nn1C	214583239	SHPWKFCZOBIVJD-SCSAIBSYSA-N	205.055	1.236	0	30	BDAC	
C[C@H]1C[C@H](N2CNC(=S)NC2)CC(C)(C)C1	20444248	QLYOUVNYMNCTDU-UWVGGRQHSA-N	241.404	1.896	0	30	BDAC	
O=C(O)c1cc(Br)nc(C(=O)O)c1	238627532	FPCOZGFBXLPCLJ-UHFFFAOYSA-N	246.016	1.241	0	30	BDAC	
COc1cc(CN)cc(C(F)(F)F)n1	95763663	FRGJSGLBYWURNA-UHFFFAOYSA-N	206.167	1.568	0	30	BDAC	
Cn1nc(-c2ccccc2)c2conc2c1=O	2013430	XTNGCLPUGZJGOH-UHFFFAOYSA-N	227.223	1.589	0	30	BDAC	
COCOc1cnc(C=O)cc1Cl	2265361409	HTQJONHTEXWDMT-UHFFFAOYSA-N	201.609	1.530	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2C[C@H]1CN2	2265384480	IZSYFEVGCHDPSL-GUBZILKMSA-N	226.320	1.509	0	30	BDAC	
Cn1ccc([C@@H](N)c2ccc(F)cc2)n1	83573623	RFROTZNQHGIQJF-NSHDSACASA-N	205.236	1.607	0	30	BDAC	in-vitro
O=c1[nH]c(CO)nc2ccc(Cl)cc12	21952272	NPZUDAFYPLMVBR-UHFFFAOYSA-N	210.620	1.069	0	30	BDAC	
CNCc1ccc(CN(C)CCOC)cc1	52572915	PIWZWKSYSQSOIE-UHFFFAOYSA-N	222.332	1.484	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2CC(=O)[C@H]21	199624198	ILMIVCFTQLIRIG-APPZFPTMSA-N	211.261	1.585	0	30	BDAC	
CCC[C@H](c1nccn1C)S(=O)(=O)O	504685982	AOKJITQXBAPAJO-SSDOTTSWSA-N	218.278	1.149	0	30	BDAC	
O=C1CCN=C2C[C@@H](c3ccccc3)CN12	31297912	JFKIAPMUYQUVHX-LLVKDONJSA-N	214.268	1.805	0	30	BDAC	in-man
C[C@@](N)(C(N)=O)c1ccc(OC(F)(F)F)cc1	37515007	KRLGWRVFSVPWMC-VIFPVBQESA-N	248.204	1.244	0	30	BDAC	
O=C(O)c1ccc(F)c(C(F)(F)F)n1	238667529	ZVEWDUKKJBNCSN-UHFFFAOYSA-N	209.098	1.938	0	30	BDAC	
Cc1ccc(=O)n(Cc2ccc(F)cc2)n1	92334	HSNLIVRSMVOMMY-UHFFFAOYSA-N	218.231	1.739	0	30	BDAC	
Brc1cnc(N2CC=CC2)nc1	39325848	FWJXMEZVRWPAHI-UHFFFAOYSA-N	226.077	1.615	0	30	BDAC	
COC(=O)[C@H](O)c1cccc(Cl)c1C	258036520	KVCHYNNVRRUOPE-SECBINFHSA-N	214.648	1.855	0	30	BDAC	
COC(=O)C(CCc1ccccc1)C(=O)OC	126242554	KYTXLTMZYOTSDM-UHFFFAOYSA-N	236.267	1.581	0	30	BDAC	
COC(=O)c1nc2ccccc2cc1N	146986948	JJVBINOKJLTGLC-UHFFFAOYSA-N	202.213	1.604	0	30	BDAC	in-vitro
O=C1OC2(CCNCC2)Cc2ccccc21	29565070	SNJCRKAPYZZDKF-UHFFFAOYSA-N	217.268	1.522	0	30	BDAC	
CCOC(=O)c1cn2ccccc2c1N	39085439	OLBMIMQXDSHFSC-UHFFFAOYSA-N	204.229	1.698	0	30	BDAC	
COC(=O)CCc1ccc(Br)nc1	219613212	KYKGGQGXJGGAQD-UHFFFAOYSA-N	244.088	1.950	0	30	BDAC	
C[C@]1(C(=O)O)Cc2c(Cl)cccc2C(=O)O1	125317638	PYNSMAPICLMATA-LLVKDONJSA-N	240.642	1.896	0	30	BDAC	
CCN[C@]1(C(=O)OC(C)(C)C)CCCNC1	35270107	BGXRAAQPXQUSBH-GFCCVEGCSA-N	228.336	1.060	0	30	BDAC	
CC(C)(C)O[C@H]1CC(=O)[C@H]1n1cccn1	238855004	QBWQIUMDPCIVHH-VHSXEESVSA-N	208.261	1.581	0	30	BDAC	
O=C(O)C1([C@@H]2CCCO2)CCOCC1	606275349	PSLHPJYOPBLVKW-QMMMGPOBSA-N	200.234	1.047	0	30	BDAC	
NC(=O)Cc1nc2cc(Cl)ccc2o1	3607204	JSYBNEUCRYGVAR-UHFFFAOYSA-N	210.620	1.509	0	30	BDAC	
CC(C)COC[C@H](O)CN1CCCC1	33986152	ZZUOXVBESBSCPQ-LLVKDONJSA-N	201.310	1.116	0	30	BDAC	
CNC(=O)Oc1cccc(OCOC)c1	2017430	MKTORMQQILZHLO-UHFFFAOYSA-N	211.217	1.388	0	30	BDAC	
CCCC[C@@H](CC)CNCCS(=O)(=O)O	33637353	PERNZMXFAMSERD-SNVBAGLBSA-N	237.365	1.680	0	30	BDAC	
Nc1ccc(C(=O)N2CCCOCC2)cc1	61913880	HYEMDDSEBRMFEP-UHFFFAOYSA-N	220.272	1.131	0	30	BDAC	in-vitro
NCc1cn2cccc(Br)c2n1	36243556	QVDPUUYUEOVWAV-UHFFFAOYSA-N	226.077	1.556	0	30	BDAC	
O=C(O)c1cc(F)cc([C@@H]2CCCN2)c1	72201989	WGLGZQMMOLQYQC-JTQLQIEISA-N	209.220	1.948	0	30	BDAC	
C=CC(=O)OCCCCOC(=O)CC(C)=O	38611162	PICTWXAWDCLLKO-UHFFFAOYSA-N	228.244	1.018	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H](C2CNC2)C1	91304856	VJSCBCZNNHYGQH-SECBINFHSA-N	226.320	1.463	0	30	BDAC	
COC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	259076217	CEKXMGCFNZQPQY-UHFFFAOYSA-N	219.240	1.703	0	30	BDAC	
COCC[C@]1(N)CCN(C(=O)OC(C)(C)C)C1	215280073	GVVZEQDJYCQFIA-GFCCVEGCSA-N	244.335	1.361	0	30	BDAC	
OCC1CCN(c2cccc(F)n2)CC1	40711540	ZJNIPCBTARPSRG-UHFFFAOYSA-N	210.252	1.429	0	30	BDAC	
COC(=O)c1c(C)cc(O)c(C=O)c1O	13118651	PXFMUVDLJWXOQM-UHFFFAOYSA-N	210.185	1.005	0	30	BDAC	biogenic
NC(=O)[C@H](N)c1ccc2c(c1)CCCC2	259094689	PLHAHKFBBRXQOE-LLVKDONJSA-N	204.273	1.051	0	30	BDAC	
O=C(O)c1cc(C(=O)O)c2cc[nH]c2c1	14982855	MRCKESUYLIBIPB-UHFFFAOYSA-N	205.169	1.564	0	30	BDAC	in-vitro
Fc1ccc(-n2cnc3c2CCNC3)cc1	82940369	DJTOHOSFTLJQRY-UHFFFAOYSA-N	217.247	1.657	0	30	BDAC	in-vitro
Clc1nc(Cl)c2c(n1)CCOCC2	95764289	ISROCBGHZGNLRP-UHFFFAOYSA-N	219.071	1.899	0	30	BDAC	
CC(C)OC[C@@H](C)OC[C@H](C)OCCCO	141638059	IORJUBNHUBMTQM-NWDGAFQWSA-N	234.336	1.604	0	30	BDAC	
N[C@@H]1Cc2n[nH]cc2[C@@H](C(F)(F)F)C1	685944679	NYGXCMYDQWYVCJ-NJGYIYPDSA-N	205.183	1.329	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H](O)CC1CC1	697442596	GLQAUYYBTAZNHL-VIFPVBQESA-N	215.293	1.672	0	30	BDAC	
CCOc1ccc(N2CCOCC2)cn1	45805746	XYJZIWRPUKNLLW-UHFFFAOYSA-N	208.261	1.317	0	30	BDAC	
CCOc1cc(C)nc(-n2cccn2)n1	38951436	ZSXAXULNRYCRRQ-UHFFFAOYSA-N	204.233	1.369	0	30	BDAC	
CN(C)c1ncc(Br)cc1CO	50042959	CLXKXAKMLYEKKF-UHFFFAOYSA-N	231.093	1.402	0	30	BDAC	
CCC/C=C/CCCB(O)OCCNCCO	2265362140	QLVMHVCGDXUARM-SNAWJCMRSA-N	243.156	1.202	0	30	BDAC	
N[C@H]1Cc2cccc(Br)c2C1	60071395	JDFSFDXKDBGOEZ-ZETCQYMHSA-N	212.090	1.875	0	30	BDAC	
C[C@@H](C(=O)O)N1Cc2ccccc2CC1=O	39135738	GFDKTQNDRRKPHZ-QMMMGPOBSA-N	219.240	1.044	0	30	BDAC	
CSC1=N[C@@H](C)N2C(SC)=N[C@H](C)N12	18285021	USCZLURPZSEAII-OLQVQODUSA-N	230.362	1.663	0	30	BDAC	
c1ccc2c(c1)CNCC1(CCOCC1)O2	19375593	CFJJLQINJPGIPA-UHFFFAOYSA-N	219.284	1.718	0	30	BDAC	
CCN(C(=O)OC(C)(C)C)[C@@H](C)CN	202518040	BCXIODCAQHGGLG-QMMMGPOBSA-N	202.298	1.591	0	30	BDAC	
CN1CCC2(CC1)CN[C@@H]1C=CC=C[C@@H]12	223618626	ZBDZNVHMVVUJTC-NWDGAFQWSA-N	204.317	1.412	0	30	BDAC	
COC(=O)[C@@]1(Cc2ccccc2)CCNC1	261271975	JUTJAQGZKMWHKJ-CYBMUJFWSA-N	219.284	1.382	0	30	BDAC	
CCOC(=O)CC[C@H](O)C(F)(F)F	32192184	MLFNYSMWFXWELZ-YFKPBYRVSA-N	200.156	1.253	0	30	BDAC	
C[C@H]1C[C@H](C)CC(O)(C(F)(F)CN)C1	675073530	KTAOPYAALRAKPG-YUMQZZPRSA-N	207.264	1.768	0	30	BDAC	
OCCSCc1ccc2nonc2c1	2144431	DUODLYXVRFMYGQ-UHFFFAOYSA-N	210.258	1.448	0	30	BDAC	
CCOC(=O)C(=O)c1nc(CC)cs1	259601510	GRRHUGPFDUISOY-UHFFFAOYSA-N	213.258	1.451	0	30	BDAC	
COC(=O)[C@H]1CC[C@H](OC2CCNCC2)CC1	607716995	MWFPZWKGILXLFR-XYPYZODXSA-N	241.331	1.487	0	30	BDAC	
CCOC(=O)c1ccc2cc(O)ccn12	261318708	GDRWBLIKKFJECI-UHFFFAOYSA-N	205.213	1.822	0	30	BDAC	
OCc1ccc(F)nc1Br	238726443	MPNUMRJVAKMLCH-UHFFFAOYSA-N	206.014	1.476	0	30	BDAC	in-vitro
C/C=C1\[C@@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2	100031060	ZRJBHWIHUMBLCN-DHGMEZGQSA-N	242.322	1.998	0	30	BDAC	investigational
CCCC[C@@]1(c2ccncc2)CCC(=O)NC1=O	5139113	OBNLIUMWVZVGID-AWEZNQCLSA-N	246.310	1.946	0	30	BDAC	
O=C1O[C@@H](C(=O)O)Cc2cccc(Cl)c21	125215713	KDPYSHXRPSTNOI-SSDOTTSWSA-N	226.615	1.506	0	30	BDAC	
FC(F)(F)c1nc([C@H]2CCNC2)no1	238514850	AJSCIRGSDMDARP-BYPYZUCNSA-N	207.155	1.165	0	30	BDAC	
CC(C)(C)OC(=O)C1(C(=O)O)CCOCC1	204062539	PNJCPUUNYFEPTA-UHFFFAOYSA-N	230.260	1.210	0	30	BDAC	
CC1(C)C[C@H](N)C[C@](C)(CNCCC(=O)O)C1	38636270	RGKAWYALXRQNJW-GWCFXTLKSA-N	242.363	1.594	0	30	BDAC	
CC(C)(C)OC(=O)N1CCCC[C@H]1N	4202877	GEHBIWVQKQLYNB-QMMMGPOBSA-N	200.282	1.692	0	30	BDAC	
Cc1ccccc1CN1CCO[C@H](CN)C1	11885824	PXAYEIRWKUYLAI-CYBMUJFWSA-N	220.316	1.155	0	30	BDAC	in-vitro
COc1ccc(C2=CC=C[C@@H](O)[C@H]2O)cc1	45805449	GBRSZJBWJYMFPS-OLZOCXBDSA-N	218.252	1.370	0	30	BDAC	
COc1cc(CCN)c(OC)c2c1CCC2	27300063	DUYSKWSFDDDWQI-UHFFFAOYSA-N	221.300	1.694	0	30	BDAC	
C[C@H]1CC[C@@H](C)C[C@H]1OC(=O)NC(N)=O	39109505	ACPDZVZIAYCDIN-GJMOJQLCSA-N	214.265	1.616	0	30	BDAC	
CC(=O)Nc1noc(C)c1Br	197028102	NWCSECQVHIEANJ-UHFFFAOYSA-N	219.038	1.704	0	30	BDAC	
CC(C)(C)OC(=O)N1CC2CC1(CC(=O)O)C2	958556672	QNOALCZJYVNDGW-UHFFFAOYSA-N	241.287	1.861	0	30	BDAC	
Nc1c(Cl)cnc(C(=O)O)c1Cl	5783814	XARSTRKAGOKHMQ-UHFFFAOYSA-N	207.016	1.669	0	30	BDAC	
CCOC(=O)[C@H](O)Cc1cccc(OC)c1	76164919	LAKRJQCENHXAKP-LLVKDONJSA-N	224.256	1.162	0	30	BDAC	
COC(=N)c1ccc(S(C)(=O)=O)cc1	77305534	RIZGXVDWDHHGMB-UHFFFAOYSA-N	213.258	1.062	0	30	BDAC	
Cc1ccc(C(=O)CN2C(=O)CCC2=O)cc1	143758	ZQFGRAPVOMHKFP-UHFFFAOYSA-N	231.251	1.327	0	30	BDAC	
CC1=NNc2nc(S)nc(C(F)(F)F)c2N1	33847786	UTACJLJNVWSIIM-UHFFFAOYSA-N	249.221	1.955	0	30	BDAC	
COC(=O)[C@@](C)(O)Cc1ccccc1OC	50974758	DFQVDOTYMOEVQM-LBPRGKRZSA-N	224.256	1.162	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(=O)N2CCC[C@@H]2C1	306759117	UZZWPKFAHHULDV-SECBINFHSA-N	240.303	1.228	0	30	BDAC	
COCC(=O)C1(NC(=O)OC(C)(C)C)CC1	405722123	PQSFFOCJVUPVCU-UHFFFAOYSA-N	229.276	1.259	0	30	BDAC	
CN1CCC[C@]12C(=O)Nc1ccccc12	33858269	ZCVYHVLSXBQOBF-LBPRGKRZSA-N	202.257	1.560	0	30	BDAC	
Brc1ccc(NC2CNC2)cc1	84416095	OFUIEAVQBCCMIJ-UHFFFAOYSA-N	227.105	1.833	0	30	BDAC	
CCOCOc1c(OC)cc(C=O)cc1OC	87888759	CYYUVTLUBWDQPL-UHFFFAOYSA-N	240.255	1.889	0	30	BDAC	
NC(=O)c1nc2c(Br)cccc2o1	103440195	JJGRBARWZGIZLH-UHFFFAOYSA-N	241.044	1.689	0	30	BDAC	
OCCN(CCO)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2	2265289691	ROQCVXISIDHPHZ-YXSUXZIUSA-N	239.359	1.242	0	30	BDAC	
CC(C)N(C)C[C@H](O)c1cccc(N)c1	1846911	XODLLHICFNHZSZ-LBPRGKRZSA-N	208.305	1.642	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](C2CC2)[C@H]1CN	238128230	WVMKLNFWGDTQHS-GHMZBOCLSA-N	240.347	1.981	0	30	BDAC	
O=C1NCCCn2nc(-c3ccc(F)cc3)cc21	725388337	NLTDWRJVVCBKMI-UHFFFAOYSA-N	245.257	1.823	0	30	BDAC	
COc1cc(C(=O)OC(C)C)ccc1N	36225922	JMNWTWOPVVNJEE-UHFFFAOYSA-N	209.245	1.843	0	30	BDAC	in-vitro
NS(=O)(=O)c1ccc2nc(Cl)ccc2c1	35358172	HXNLGTKENNXLJI-UHFFFAOYSA-N	242.687	1.536	0	30	BDAC	
CCN(C)S(=O)(=O)c1cc(F)ccc1F	95347916	CIYQMOAHQVDOIC-UHFFFAOYSA-N	235.255	1.605	0	30	BDAC	in-vitro
OC[C@@H](O)c1cccc(Br)c1	95532575	RPYUQIBEBQYKTK-MRVPVSSYSA-N	217.062	1.475	0	30	BDAC	in-vitro
COC[C@@H]1CCCN1N[Si](C)(C)C	195751161	HPCBNKFOXCCWJZ-VIFPVBQESA-N	202.374	1.437	0	30	BDAC	
COC(=O)[C@@H]1C[C@@H](CN)c2ccccc21	38363668	VLYNBHYMQUZEDV-GZMMTYOYSA-N	205.257	1.389	0	30	BDAC	
CC1(C)Cc2cccc(S(N)(=O)=O)c2O1	39645760	VYFFICQOFMWLII-UHFFFAOYSA-N	227.285	1.048	0	30	BDAC	in-vitro
CCc1n[nH]c2c1C[C@H]1CN(C)CC[C@H]1C2	45806317	BCYLMLRPTGSNNE-UWVGGRQHSA-N	219.332	1.639	0	30	BDAC	
Nc1ncnc(Nc2c(F)cccc2F)n1	89333	IQGUHUQTBOVRIR-UHFFFAOYSA-N	223.186	1.476	0	30	BDAC	
C[C@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1N	66354500	PIKUMWWWMLIKJN-AAEUAGOBSA-N	248.326	1.992	0	30	BDAC	
COc1c(Br)cccc1CCN	42412671	ZOJHYIXSOOOLQU-UHFFFAOYSA-N	230.105	1.959	0	30	BDAC	in-vitro
COC(=O)Cc1ccc(C)c(Br)n1	307038643	GIXVVNNTRMCQSZ-UHFFFAOYSA-N	244.088	1.868	0	30	BDAC	
CCc1nn2ccccc2c1NC(C)=O	39100872	VIPPRTFSMSITMO-UHFFFAOYSA-N	203.245	1.855	0	30	BDAC	
CN1CCCC[C@@H]1COC(=O)n1ccnc1	39110529	WGIVJCWMHUHADR-SNVBAGLBSA-N	223.276	1.352	0	30	BDAC	
O=C(O)[C@@H](O)C1CCC(C(F)(F)F)CC1	85446552	NUNXJBDJLLMIGP-AHXFUIDQSA-N	226.194	1.801	0	30	BDAC	in-vitro
Cc1ncc(I)o1	204416490	XNIOLBHIZFIHEM-UHFFFAOYSA-N	208.986	1.588	0	30	BDAC	
CNCCCN(C)C(=O)OCc1ccccc1	306926779	RALLTXWPOYXJKA-UHFFFAOYSA-N	236.315	1.865	0	30	BDAC	
CCOC(=O)[C@@H]1C[C@@H](C)CSC1=N	197903551	DVGQVFNQOYLCLG-RNFRBKRXSA-N	201.291	1.916	0	30	BDAC	
CCOC(=O)[C@H]1O[C@@H]1c1ccc(C)cc1	5857103	UMSHXRVBYUKRDF-MNOVXSKESA-N	206.241	1.998	0	30	BDAC	
OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1	15019596	CLKKWAVSCFMWRY-LBPRGKRZSA-N	241.718	1.533	0	30	BDAC	
CCOP(=O)(C[S@](=O)O)OCC	2265384754	UGQNRPAFNNGWON-UHFFFAOYSA-N	216.195	1.432	0	30	BDAC	
C[C@@H]1C[C@@H]2OC(=O)[C@H](C)[C@H]2CC=C1CCO	257485456	MOXJTUNOIGNZKZ-IQIPOGNMSA-N	224.300	1.903	0	30	BDAC	endogenous,in-man
NC(=O)c1ccc2nc3ccsc3c(=O)n2c1	153847	CMQOKQHCGLNSOF-UHFFFAOYSA-N	245.263	1.008	0	30	BDAC	
N[C@H](CC(=O)O)c1cc2ccccc2o1	2597509	HWTGIYWDRQTQIT-MRVPVSSYSA-N	205.213	1.907	0	30	BDAC	
Nc1ccc2nnc(-c3ccccc3)n2n1	78866	HGCAJYTWQQSMPO-UHFFFAOYSA-N	211.228	1.374	0	30	BDAC	
CC(C)CCCCCOC(=O)C[C@@H](O)C(=O)O	223496427	AWWQJVJHZSIYIW-SNVBAGLBSA-N	246.303	1.582	0	30	BDAC	
O=C(O)[C@@H](Br)C[C@H]1CCCO1	223549293	IKKGARIRKHKGSL-RITPCOANSA-N	223.066	1.404	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@H]([S@@](=O)O)C1	223453619	YHWNBULKELOOGQ-QMMMGPOBSA-N	249.332	1.608	0	30	BDAC	
O=c1cc(O)nc(-c2ccc(F)cc2)[nH]1	82473620	HFPMRRJDZMDJPF-UHFFFAOYSA-N	206.176	1.282	0	30	BDAC	
OCc1cnc2ccc(Br)cn12	31935527	WJSGJIBYPNOLBH-UHFFFAOYSA-N	227.061	1.589	0	30	BDAC	
COC(=O)c1c(Cl)nc(Cl)n1C	261178743	DFYUIKFFSUIUGP-UHFFFAOYSA-N	209.032	1.514	0	30	BDAC	
CC(C)(C)OC(=O)N1CCOC[C@@]1(C)CO	306266471	DXNVPQDZAGYXEH-LLVKDONJSA-N	231.292	1.005	0	30	BDAC	
CC(C)(C)OC(=O)N1CC=C[C@@]1(C)CO	238146895	NJICUPQZQXLMDJ-NSHDSACASA-N	213.277	1.544	0	30	BDAC	
O=C(Cc1ccsc1)N1CCCNCC1	20248696	INHHFOHQPXWARH-UHFFFAOYSA-N	224.329	1.113	0	30	BDAC	
COc1ccc(-c2cc3n(n2)CCNC3=O)cc1	96028958	TXMRYKFEVIWOOV-UHFFFAOYSA-N	243.266	1.302	0	30	BDAC	
CC(C)(C)OC(=O)C[C@H]1C[C@@H](C(=O)O)C1	146091992	ZNUHNXJFVFZURM-ZKCHVHJHSA-N	214.261	1.829	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=N)=O)C1	584646087	JYOPAUPKXFQZPE-VPTHRUTESA-N	248.348	1.672	0	30	BDAC	
Cc1cn(-c2cc(CN)ccn2)c(C)n1	714452178	XALRDTZIHLIRGE-UHFFFAOYSA-N	202.261	1.343	0	30	BDAC	
O=C1[C@H](O)CCCN1Cc1ccccc1	91351764	HVGCDCJXQQEGPC-LLVKDONJSA-N	205.257	1.170	0	30	BDAC	in-vitro
CCOC(=O)[C@@H](N)Cc1c(F)ccc(F)c1F	96835682	HUUFPJGOGBHXDZ-VIFPVBQESA-N	247.216	1.537	0	30	BDAC	
CSc1nc(Cl)nc(SC)n1	1756002	ZPHLQJFYCYTLLX-UHFFFAOYSA-N	207.711	1.969	0	30	BDAC	
CC(C)(C)OC(=O)N1CCN[C@@H]2CC[C@H]21	215198798	JIIFXMDXOJFVMW-RKDXNWHRSA-N	212.293	1.358	0	30	BDAC	
O=C1O[C@H](C(=O)O)Cc2cccc(Cl)c21	125215432	KDPYSHXRPSTNOI-ZETCQYMHSA-N	226.615	1.506	0	30	BDAC	
Cc1sc(Br)nc1CC(=O)O	82331831	MLMFCUOITXQWTA-UHFFFAOYSA-N	236.090	1.841	0	30	BDAC	
NS(=O)(=O)c1ccc(-c2ccno2)s1	12369078	LHKKKNZCMBMZBK-UHFFFAOYSA-N	230.270	1.051	0	30	BDAC	
CCCCCC(=O)N[C@H](C(=O)O)C(C)C	20362419	CIXITHNTRDZSKC-JTQLQIEISA-N	215.293	1.792	0	30	BDAC	
CCNC[C@@H](C)NC(=O)OC(C)(C)C	91351784	VJRACYXJGFHJHI-MRVPVSSYSA-N	202.298	1.509	0	30	BDAC	in-vitro
CNCC(F)(F)CN(C)C(=O)OC(C)(C)C	2242422540	WOTXUMYBYAZMMP-UHFFFAOYSA-N	238.278	1.708	0	30	BDAC	
Cc1nc(Oc2ccccc2)cc(=O)[nH]1	39416459	ONBOCYTUAHZSDV-UHFFFAOYSA-N	202.213	1.871	0	30	BDAC	
COC(=O)C[C@@H](C)CC(C)(C)C(=O)OC	6036113	UJDNTFQWEQKSCL-MRVPVSSYSA-N	216.277	1.775	0	30	BDAC	
CCOC(=O)c1cc(O)cc(C(F)(F)F)n1	95761622	WXZFRSPCKJPJHR-UHFFFAOYSA-N	235.161	1.983	0	30	BDAC	
N[C@@H](CSCCc1ccccc1)C(=O)O	19442192	RHAPIQQNFJCBPR-JTQLQIEISA-N	225.313	1.374	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CC2(CCC2)[C@H]1CO	2265385519	DQTVCXRJHJRBTN-SECBINFHSA-N	227.304	1.768	0	30	BDAC	
O=C(O)C(=O)Cc1cnn(-c2ccccc2)c1	22210714	DRPATNHCBBZMLW-UHFFFAOYSA-N	230.223	1.069	0	30	BDAC	in-vitro
CCc1ccc(C(=O)c2cccnc2)n1N	39101816	IEJUVZDCPAOEPJ-UHFFFAOYSA-N	215.256	1.390	0	30	BDAC	
c1cc(-c2cc3c(nn2)CCNC3)ccn1	521399607	MCNYRFCJVZKHPV-UHFFFAOYSA-N	212.256	1.184	0	30	BDAC	
N[C@H](CO)Cc1cc(Cl)ccc1Cl	44464429	HAEZGCGMFWHCLN-QMMMGPOBSA-N	220.099	1.856	0	30	BDAC	
OC[C@H]1O[C@H]1c1ccc(Br)cc1	34227226	NFJNOLUOXBCBDP-BDAKNGLRSA-N	229.073	1.881	0	30	BDAC	
COC(=O)c1cccc(C(=O)OC)c1F	4323364	OSPJANZFCZYKEH-UHFFFAOYSA-N	212.176	1.399	0	30	BDAC	
O=c1c(Cl)c(Cl)cnn1[C@H]1CCCOC1	91365937	OEIQXPVDMWBQKW-LURJTMIESA-N	249.097	1.902	0	30	BDAC	
COc1cccc(N2CCC[C@H](N)C2=O)c1	68575438	GNUGZFZZLCOVEF-NSHDSACASA-N	220.272	1.149	0	30	BDAC	in-vitro
COc1ccccc1N1CCC[C@H](N)C1=O	68575469	USOYCZDVOSHASX-VIFPVBQESA-N	220.272	1.149	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)c1cccnc1NN	146665408	HZXWGIZDRDYGHJ-UHFFFAOYSA-N	209.249	1.323	0	30	BDAC	in-vitro
Cc1cc(=O)c2cc3c(cc2o1)OCO3	35962549	XDFAYZOINRRSMW-UHFFFAOYSA-N	204.181	1.830	0	30	BDAC	
CC(=O)[C@H]1C(=O)c2cccc3c2N(CCC3)C1=O	957743244	MRHTWNDUCCEAMT-NSHDSACASA-N	243.262	1.367	0	30	BDAC	
NCc1cc(C(F)(F)F)nn1-c1cccnc1	113489675	LULNTTCYQLQIHN-UHFFFAOYSA-N	242.204	1.745	0	30	BDAC	
OC[C@H]1CNc2cccc(Br)c2O1	211876823	PDUXLDWXVQZIGV-ZCFIWIBFSA-N	244.088	1.614	0	30	BDAC	
COC(=O)[C@@H]1Cc2ccc(Cl)cc2CN1	82786223	UIAPGKMONUXFRA-JTQLQIEISA-N	225.675	1.527	0	30	BDAC	
O=C(NCC(F)(F)CO)OCc1ccccc1	231780668	NCIDMSWZFPABFF-UHFFFAOYSA-N	245.225	1.540	0	30	BDAC	
Brc1cc2c(cn1)CNCC2	95774263	LZIOMUZWWVKJDY-UHFFFAOYSA-N	213.078	1.490	0	30	BDAC	
NC[C@@](O)(C1CCCCC1)C(F)(F)F	107469912	QULBKGBGXFWVET-MRVPVSSYSA-N	211.227	1.819	0	30	BDAC	
Cc1cc(CO)cc(Br)n1	114108376	BDYCNXLYRGFBFC-UHFFFAOYSA-N	202.051	1.645	0	30	BDAC	in-vitro
CCC(=O)c1cc(C)ccc1OC[C@H](O)CO	5818758	SVLPMMGDCQBQJS-SNVBAGLBSA-N	238.283	1.320	0	30	BDAC	
C[C@@H]1NCCn2c(C3CCCC3)nnc21	53710648	SKGNSJFJRJUZCC-QMMMGPOBSA-N	206.293	1.600	0	30	BDAC	in-vitro
COC(=O)[C@@]1(C)C=CCN1C(=O)OC(C)(C)C	136740331	YDKVELHEMMJYJX-GFCCVEGCSA-N	241.287	1.725	0	30	BDAC	
CCOC(=O)[C@H]1CC[C@@](C)(C(=O)O)C1	319381860	ROSIFZHEMNPRSU-OIBJUYFYSA-N	200.234	1.441	0	30	BDAC	
CCOc1ccc(C[C@@H](C)N)cc1OC	37727058	RVWFZIVXDDQMII-SECBINFHSA-N	209.289	1.984	0	30	BDAC	
O=C(O)c1nnc(-c2cccc(F)c2)o1	57495149	DENVYWLJMAOKAU-UHFFFAOYSA-N	208.148	1.574	0	30	BDAC	
Cc1ccc(-c2ocnc2C(N)=O)cc1	129542	CPCVNMCLTMZRIZ-UHFFFAOYSA-N	202.213	1.749	0	30	BDAC	
COC(=O)[C@H](N)Cc1ccnc2ccccc12	69604104	JFUVBYPWQODCML-LLVKDONJSA-N	230.267	1.278	0	30	BDAC	
CCO[C@@H]1OC[C@@H](CN2CCCCC2)O1	39100121	GYUMUEVTCOICOW-GHMZBOCLSA-N	215.293	1.208	0	30	BDAC	
COC(=O)C[C@@H]1Cc2ccccc2CN1	39118181	WDOQQWPONUQKPB-NSHDSACASA-N	205.257	1.264	0	30	BDAC	
C[C@@H](C(=O)N1CCSCC1)n1cccc1	131180995	AWILLEPFQLYIKZ-JTQLQIEISA-N	224.329	1.625	0	30	BDAC	
CC1(CCN)CN(C(=O)OC(C)(C)C)C1	238143196	IXRGNGVKFPKGDI-UHFFFAOYSA-N	214.309	1.592	0	30	BDAC	
CC(C)(F)COc1ccc(C(=O)O)cn1	2265360978	ICSCUPMKORSAIV-UHFFFAOYSA-N	213.208	1.907	0	30	BDAC	
CO[P@](=O)(O)[C@H](O)C(Cl)(Cl)Cl	5998404	KFPHBRHXSUAGID-REOHCLBHSA-N	243.410	1.507	0	30	BDAC	in-vitro
COc1ccc2c(c1)O[C@](C)(OC)CO2	72232986	LQZQHBHPEGLXFK-NSHDSACASA-N	210.229	1.829	0	30	BDAC	
O=C(O)[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1ccccc1F	229717150	BVVKPJIGNVJQBD-HDBBIHSSSA-N	249.241	1.371	0	30	BDAC	
CCOC(=O)c1ncc(Br)o1	238282325	XPNHEUUMAHKJLK-UHFFFAOYSA-N	220.022	1.614	0	30	BDAC	
COc1ccc2c(c1)sc(=NN)n2C	252673324	QZROAHYPAKJMGP-UHFFFAOYSA-N	209.274	1.023	0	30	BDAC	
O[C@@]1(c2cccc(Br)c2)CCNC1	212586190	CUESKQLGGLPUKC-JTQLQIEISA-N	242.116	1.630	0	30	BDAC	
Brc1ccc(-c2nncnn2)cc1	343346	MFLXHPDTBBNRPG-UHFFFAOYSA-N	237.060	1.696	0	30	BDAC	
Cc1c(CO)nnn1-c1ccccc1F	45892509	NZXAWNWLIWCWRH-UHFFFAOYSA-N	207.208	1.207	0	30	BDAC	
COc1cc([C@@H]2CNCCO2)ccc1F	82952998	QGZXXACRUFZISH-NSHDSACASA-N	211.236	1.495	0	30	BDAC	
COC(=O)c1cc(-c2cccc(N)c2)on1	83161384	JENJVNOAFFTCAT-UHFFFAOYSA-N	218.212	1.710	0	30	BDAC	
CCOC(=O)[C@]1(C)NC(=O)c2ccccc21	584603013	MLFGQTPVSGIFDG-GFCCVEGCSA-N	219.240	1.208	0	30	BDAC	
CN1CN=C(SCc2ccccc2)NC1	144696	DEIOEQHACRYLDV-UHFFFAOYSA-N	221.329	1.726	0	30	BDAC	
COCCOc1ccc2c(c1)CCNC2	71494764	GRPUMXBYKZBGOO-UHFFFAOYSA-N	207.273	1.358	0	30	BDAC	
CCOC(=O)[C@H]1CNc2cc(F)ccc2O1	90470896	NHOMLOLSDHZKLL-SNVBAGLBSA-N	225.219	1.562	0	30	BDAC	
NC[C@@H](NCc1ccccc1)C(F)(F)F	34620059	ZVQBRWKRJPPJQF-SECBINFHSA-N	218.222	1.666	0	30	BDAC	
NC[C@@H](O)Cc1ccccc1Br	71534509	VOLLTUANSVUHHX-QMMMGPOBSA-N	230.105	1.311	0	30	BDAC	
COC(=O)c1cc(Br)c(N)c(C)n1	498035699	AYAYFJNCYIETBV-UHFFFAOYSA-N	245.076	1.521	0	30	BDAC	
CC1(C)O[C@@H]2C(Br)=C[C@@H]3O[C@@H]3[C@@H]2O1	34582645	IJFOOAYHPAECGI-FKSUSPILSA-N	247.088	1.566	0	30	BDAC	
CSc1nnc(C(F)(F)F)c(O)n1	95756450	HCRLETWUKXZZCQ-UHFFFAOYSA-N	211.168	1.318	0	30	BDAC	
COC(=O)[C@@H](F)C(=O)c1cccc(C)c1	100197101	KOIMXSMNZCYNPB-VIFPVBQESA-N	210.204	1.689	0	30	BDAC	
CCOC(=O)[C@@H]1CCN(C(C)(C)C)CC1=O	140426086	WNXKULKEAXAHGH-SECBINFHSA-N	227.304	1.239	0	30	BDAC	
CC(C)(C(=O)O)[C@@H]1CC[C@H](C(=O)O)C1	5357426	QSRHRQWRLFGZKS-NKWVEPMBSA-N	200.234	1.598	0	30	BDAC	
CCCCN(CCCC)C(=O)[C@H]1CCC(=O)N1	5821181	NDGMGZDZOXTYQZ-LLVKDONJSA-N	240.347	1.694	0	30	BDAC	
Oc1ccc2c(c1)[C@@H]1OCCN[C@@H]1CC2	29389040	RCTXZLWJOZFFFZ-NEPJUHHUSA-N	205.257	1.368	0	30	BDAC	in-vitro
COc1ccc(C(=O)O)cc1-c1ccnn1C	69466891	XQZYXBDTTWRQHY-UHFFFAOYSA-N	232.239	1.794	0	30	BDAC	in-vitro
CNC[C@@H]1OCCN(C)[C@H]1c1ccccc1	69797535	HSRFSSLZCICRJK-STQMWFEESA-N	220.316	1.278	0	30	BDAC	
Clc1cnc2c(Cl)ncnc2n1	35269724	GLMLCKFRCXFITK-UHFFFAOYSA-N	201.016	1.727	0	30	BDAC	
COC(=O)[C@H]1CCNc2ccccc2C1	226073943	LHUHOYMOLWBMSW-JTQLQIEISA-N	205.257	1.834	0	30	BDAC	
C=CC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC	140425032	NWEQTEZUOVPAQU-UTINFBMNSA-N	214.261	1.454	0	30	BDAC	
Brc1cnc2n1CCOC2	84326589	FGJHAKWQBRSVQY-UHFFFAOYSA-N	203.039	1.176	0	30	BDAC	
O=C1CCC[C@@H](c2ccc(C(=O)O)cc2)N1	210729472	AYRHNMAHEPZWTR-JTQLQIEISA-N	219.240	1.726	0	30	BDAC	
COc1cc(CCN)cc(OC)c1OC1CC1	379746399	VRTSLAVKWTZKIT-UHFFFAOYSA-N	237.299	1.746	0	30	BDAC	
Cc1nn(Cc2ccccc2)c(O)c1N	100269398	SYKBDUALLXDHDT-UHFFFAOYSA-N	203.245	1.528	0	30	BDAC	
O=C(O)C[C@@H](O)c1cnc(Cl)s1	306157152	JDHSSHGXWHLOKD-GSVOUGTGSA-N	207.638	1.305	0	30	BDAC	
COC(=O)c1ccc([C@H]2C[C@H](N)C2)cc1	1554770584	FTRAIHPYLHUEPB-XYPYZODXSA-N	205.257	1.678	0	30	BDAC	
O=[N+]([O-])c1nccc(Br)c1O	141150862	RWQSFGYTNNNPCN-UHFFFAOYSA-N	218.994	1.458	0	30	BDAC	
C[C@H](C(N)=S)N(C)C(=O)OC(C)(C)C	54139391	BVPJTUWKEXTCPC-ZCFIWIBFSA-N	218.322	1.528	0	30	BDAC	
CC(C)OC(=O)c1ccccc1OC(N)=O	33609936	PPKPDEXFZGRPNQ-UHFFFAOYSA-N	223.228	1.709	0	30	BDAC	
O=C1c2ccccc2C(=O)N1[C@H]1C[C@H](C(=O)O)C1	307652250	NGNDDWRROXQJDS-ZKCHVHJHSA-N	245.234	1.146	0	30	BDAC	
O=C(O)[C@@H]1CCC(=O)[C@@H]1Cc1ccccc1	33710755	XUZNWUPKDRCVGX-GHMZBOCLSA-N	218.252	1.909	0	30	BDAC	
COC(=O)c1cc(Cl)nc2c1CC(=O)N2	44712626	OZOIXOGLWBMUMV-UHFFFAOYSA-N	226.619	1.016	0	30	BDAC	in-vitro
COc1ccc2c(c1)NC(=O)C[C@H](C)N2	107147516	NQKGUWQPPUJOMT-ZETCQYMHSA-N	206.245	1.838	0	30	BDAC	
O=C1C(=O)N2CCCc3cc([N+](=O)[O-])cc1c32	21297603	DBPJZWZANHRJTK-UHFFFAOYSA-N	232.195	1.070	0	30	BDAC	
COc1cccc(OC)c1[C@@H](N)CC(=O)O	44195921	GTLCCFJRSKMVDC-ZETCQYMHSA-N	225.244	1.178	0	30	BDAC	
CO[C@H]1C[C@@H](CN)N(Cc2ccccc2)C1	307364407	KCFCMCLIRLTYQM-STQMWFEESA-N	220.316	1.235	0	30	BDAC	
c1cc(CN[C@H]2CN3CCC2CC3)cs1	19946333	HJHRWMPUNMESKC-LBPRGKRZSA-N	222.357	1.932	0	30	BDAC	
CC(C)(C)OC(=O)N1CCN[C@H]2CCC[C@H]21	82359729	DTQFSFGKCIRARX-VHSXEESVSA-N	226.320	1.748	0	30	BDAC	
Cc1ccc(F)cc1N1C[C@H](C(=O)O)CC1=O	112620	WBWKJDPXSLQGKZ-MRVPVSSYSA-N	237.230	1.572	0	30	BDAC	
Cc1cc(Br)c(CO)cn1	307151606	DWGKNOVTCABSHV-UHFFFAOYSA-N	202.051	1.645	0	30	BDAC	
COC(=O)c1ccc2cc(CN)oc2c1	215250961	KIPNWINMOBHVGH-UHFFFAOYSA-N	205.213	1.678	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H](O)C12CCC2	390822124	HGNCHMUMZPIMGE-SECBINFHSA-N	227.304	1.911	0	30	BDAC	
O=C(OCc1ccccc1)N1CC[C@@H]2NC[C@H]21	585163885	NKNKCQYVKIXJES-NWDGAFQWSA-N	232.283	1.369	0	30	BDAC	
CC(C)CNC(=O)[C@@H]1CC(c2ccccc2)=NO1	158565	XXTGIZFITKBREZ-ZDUSSCGKSA-N	246.310	1.952	0	30	BDAC	
O=C(NC(=O)c1ccno1)Nc1ccc(F)cc1	121681	OZLOODMBUKCFMZ-UHFFFAOYSA-N	249.201	1.776	0	30	BDAC	
O[C@@H](CF)c1ncc(Br)cn1	1536210183	DHBCDJYSGOUIPN-YFKPBYRVSA-N	221.029	1.242	0	30	BDAC	
CNC(=O)Nc1ccc(Br)cc1N	125106202	IMSYGQSQHVRYQF-UHFFFAOYSA-N	244.092	1.783	0	30	BDAC	
O=C(O)Cc1cc2ccccc2c(=O)o1	139967183	SLAXQKBVDWOLFK-UHFFFAOYSA-N	204.181	1.420	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](CCO)[C@@H](F)C1	222172032	RTTFSGDFPHCZMD-ZJUUUORDSA-N	247.310	1.964	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2C(=O)C[C@]2(C)C1	199624004	ZHAYAUIMRPDSNP-PRHODGIISA-N	225.288	1.832	0	30	BDAC	
CCOC(=O)Oc1nn(C)cc1C(=O)OCC	2265383556	BCFMCZIJPQDONO-UHFFFAOYSA-N	242.231	1.132	0	30	BDAC	
CC(=O)NC1(C(=O)O)[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2	2265357450	KAEHDJZIVRCNSO-CEBISCOSSA-N	237.299	1.402	0	30	BDAC	
C[C@H](CO)C1CCN(CCCCN)CC1	2013771	DZCRLRIXXMTCRQ-LLVKDONJSA-N	214.353	1.066	0	30	BDAC	
O=C(O)[C@@]1(Nc2ccccc2)CCCNC1	953107992	RSWKEOQFASHXNL-GFCCVEGCSA-N	220.272	1.305	0	30	BDAC	
O[C@H]1CCNCc2ccc(Br)cc21	211323818	IZNUDPIETSKKNQ-JTQLQIEISA-N	242.116	1.976	0	30	BDAC	
OC[C@@H]1CNc2cccc(Br)c2O1	211876746	PDUXLDWXVQZIGV-LURJTMIESA-N	244.088	1.614	0	30	BDAC	
CN1N=C(c2ccc(Cl)cc2)CC1=O	135789126	IGDZNVNGUGOWNM-UHFFFAOYSA-N	208.648	1.906	0	30	BDAC	
C=CC(=O)OCCOCCOCCCC	5514169	KEVOENGLLAAIKA-UHFFFAOYSA-N	216.277	1.549	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H](O)C2	687769097	UYQWTUFQGNHJIK-KXUCPTDWSA-N	227.304	1.767	0	30	BDAC	
CC(C)(C)OC(=O)N1CCNC[C@@H]1C(F)F	203955117	FQCASEFLOGAOJM-SSDOTTSWSA-N	236.262	1.460	0	30	BDAC	
CN1CCC[C@@H](c2nn(C)c3c2CCCCN3)C1	3697852	XRWBTFJARRSWHO-LLVKDONJSA-N	248.374	1.978	0	30	BDAC	
Cc1cnccc1N1[C@H]2CC[C@H]1CNC2	663278493	SCZPRAFUHRGYDC-QWRGUYRKSA-N	203.289	1.331	0	30	BDAC	
CCC1=C[C@@H]2[C@H](C1)C[C@@]2(CN)CC(=O)O	113907768	FTBQORVNHOIASH-FOGDFJRCSA-N	209.289	1.782	0	30	BDAC	
COC(=O)[C@@H]1C=CN(C(=O)OC(C)(C)C)CC1	238326253	PZDGOAWOSISXLN-SECBINFHSA-N	241.287	1.930	0	30	BDAC	
O=C(O)c1ncsc1-c1ccccn1	83239587	VVCSTLSLZVIDDX-UHFFFAOYSA-N	206.226	1.903	0	30	BDAC	
O=C(c1ccc2c(c1)CCO2)N1CCOCC1	168872	VGOJQRUVWAQGBE-UHFFFAOYSA-N	233.267	1.094	0	30	BDAC	
Fc1ccc(-c2nnn[nH]2)c(Br)c1	95219525	CQYGYPTUHVQQNP-UHFFFAOYSA-N	243.039	1.768	0	30	BDAC	
CCOC(=O)[C@@]1(F)CNC[C@H]1c1ccccc1	687798363	NAUYJOKAYBTOKF-WCQYABFASA-N	237.274	1.645	0	30	BDAC	
N[C@]1(c2ccc(OC(F)F)cc2)CCOC1	699404084	KRFQCOFEXHCHNN-LLVKDONJSA-N	229.226	1.862	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H]1CCCn2cnnc21	756957717	KSOXGFJQLMIPLX-MRVPVSSYSA-N	223.276	1.497	0	30	BDAC	
O=c1c(Cl)c(Cl)cnn1[C@@H]1CCCOC1	91365936	OEIQXPVDMWBQKW-ZCFIWIBFSA-N	249.097	1.902	0	30	BDAC	
COc1ccc2c(OC)c(OC)c(=O)oc2c1	32232715	AYMSWLVOSROJFX-UHFFFAOYSA-N	236.223	1.819	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)O)CO1	669372653	VCKWPYNMUCRUHV-YUMQZZPRSA-N	245.275	1.001	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCSC1	43503786	BOUVNAQZJMDMLE-JTQLQIEISA-N	247.316	1.471	0	30	BDAC	
Cn1nc(Cl)n(-c2ccccc2)c1=O	139814873	AYXDDSTZPWUOPC-UHFFFAOYSA-N	209.636	1.224	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](N)C12CCC2	390822215	VDLQWFAVDYRRGW-RKDXNWHRSA-N	226.320	1.781	0	30	BDAC	
CCOC1(OCC)CC(C)(C(=O)O)C1	725343541	BVAJHKBAAMMTBK-UHFFFAOYSA-N	202.250	1.640	0	30	BDAC	
Cc1ccc(Br)nc1C(N)=O	180223921	PJFJMYDRLREUHN-UHFFFAOYSA-N	215.050	1.251	0	30	BDAC	
COC(=O)c1ccc2c(c1F)NC(=O)C2	238403641	NBVHYHLSWKPFBS-UHFFFAOYSA-N	209.176	1.107	0	30	BDAC	in-vitro
NC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccncc1	521399268	XZKKWURXJMRTPL-GWCFXTLKSA-N	231.299	1.092	0	30	BDAC	
Cc1cc(C)cc(N(C[C@H](C)O)C[C@@H](C)O)c1	5159950	PARPOEDUBHSEJZ-BETUJISGSA-N	237.343	1.871	0	30	BDAC	
CCOC(=O)[C@@H](O)CCCc1ccccc1	84379530	GMUMCPXYFSFMLG-LBPRGKRZSA-N	222.284	1.933	0	30	BDAC	in-vitro
CO[C@H]1CN[C@](C)(CNC(=O)OC(C)(C)C)C1	536948290	PTQMQCURMJQIIV-SKDRFNHKSA-N	244.335	1.278	0	30	BDAC	
COC(=O)CC(=O)c1ccnc(Cl)c1	75089320	KQBHNZCYKVFEQW-UHFFFAOYSA-N	213.620	1.481	0	30	BDAC	
COCOc1cnc(Cl)cc1C(=O)O	95642772	XFUQEJNWZACMER-UHFFFAOYSA-N	217.608	1.416	0	30	BDAC	
CCOC(=O)/C=C1/CCOC[C@@H]1OCC	669371556	GLANOILMFRSBBA-RNKPRXRFSA-N	214.261	1.301	0	30	BDAC	
COc1cccc(CN2CCC[C@H](C(=O)O)C2)c1	3749273	SIICTGGICRIQIF-LBPRGKRZSA-N	249.310	1.992	0	30	BDAC	
O=Cc1ccccc1N1CCC[C@@H](O)C1	42468904	LJAQOYZUHIEEHH-LLVKDONJSA-N	205.257	1.460	0	30	BDAC	in-vitro
NC(=O)[C@H](NCc1ccccc1)C1CCC1	87585226	KEMSNUPWNBYPJU-GFCCVEGCSA-N	218.300	1.430	0	30	BDAC	
CN(C)c1cc(F)c(C(=O)O)c(F)c1	300797918	AOLNVKXFAJUIAU-UHFFFAOYSA-N	201.172	1.729	0	30	BDAC	
NNC(=S)Nc1nc2ccccc2s1	6342638	QDZPFGHTALCPTQ-UHFFFAOYSA-N	224.314	1.456	0	30	BDAC	
COCOc1ccc(C(=O)O)cc1OC	3138194	IVSJEEIYOUWRSU-UHFFFAOYSA-N	212.201	1.376	0	30	BDAC	
CN(C)C(=O)/C=C/c1ccc(S[N+](=O)[O-])o1	96332142	JTZBOQHWQSWCOO-HWKANZROSA-N	242.256	1.665	0	30	BDAC	
Brc1cc2c(cn1)OCCN2	143251698	IGKBDTQESXFWLG-UHFFFAOYSA-N	215.050	1.648	0	30	BDAC	
O=[P@](O)(Oc1ccccc1)[C@H]1CCCN1	38276912	ZJSSCIORWSJOFW-JTQLQIEISA-N	227.200	1.960	0	30	BDAC	in-vitro
NC(=S)[C@@H]1CCCN(C(=O)c2ccccc2)C1	79835050	KPFUZAZOVWSGFA-LLVKDONJSA-N	248.351	1.825	0	30	BDAC	
C/C(=C\CO)CCO[C@@H]1CCCCO1	39090659	HPCKMVZTZLRFNH-IGLBNKAOSA-N	200.278	1.858	0	30	BDAC	
Cc1cc(=O)oc2cc(NCCN)ccc12	141560806	FXBUQOVHLBHRHJ-UHFFFAOYSA-N	218.256	1.472	0	30	BDAC	
O=C1C[C@@H](O)CCN1Cc1ccccc1	196161711	MSOZDGCODQNTAR-NSHDSACASA-N	205.257	1.170	0	30	BDAC	
Nc1ccc(S(=O)(=O)C2CC2)cc1F	66054989	MOTPVTWZOVUFKZ-UHFFFAOYSA-N	215.249	1.344	0	30	BDAC	
C[C@@H](C(=O)O)N1CCc2ccccc2C1=O	36221934	GAZRHHSNADWMDB-QMMMGPOBSA-N	219.240	1.158	0	30	BDAC	
CN(C)S(=O)(=O)c1ccc(S)cc1	118322477	VTIKXMBORKZRBB-UHFFFAOYSA-N	217.315	1.226	0	30	BDAC	
CCO[C@@H]1C[C@H]2CNCc3cccnc3N2C1	1535202650	UISBFYZNOQXJTR-NWDGAFQWSA-N	233.315	1.169	0	30	BDAC	
CS(=O)(=O)Oc1cccc2[nH]ccc12	36448817	SEOWQFGPKAUNPH-UHFFFAOYSA-N	211.242	1.506	0	30	BDAC	
CC(C)OC(=O)[C@H](C)C(=O)c1cnccn1	98089953	ZUJXPOANNBUCDQ-MRVPVSSYSA-N	222.244	1.247	0	30	BDAC	
CC(=O)Oc1ccc2c(OC(C)=O)ncnc2c1	202109025	ZLXCIUJKHCSWIS-UHFFFAOYSA-N	246.222	1.480	0	30	BDAC	
CCOC(=O)C(C(=O)OCC)C(F)(F)F	93517605	DSFVGHRRSTWOSN-UHFFFAOYSA-N	228.166	1.291	0	30	BDAC	
COC(=O)C1(N)CCC(C(F)F)CC1	1535054653	OTLBKDJRKSYLRS-UHFFFAOYSA-N	207.220	1.312	0	30	BDAC	
Cc1cc(C)c(NC(=S)NCCO)c(C)c1	13658978	UDLCUYDTIDNJHV-UHFFFAOYSA-N	238.356	1.891	0	30	BDAC	
Nc1ccc(-c2cnn(CCO)c2)cc1	66347865	WHVULNUBZDIKCV-UHFFFAOYSA-N	203.245	1.125	0	30	BDAC	
CCOC(=O)c1cc(Cl)cc(O)c1N	139979862	VAMBURGWOHFXGE-UHFFFAOYSA-N	215.636	1.805	0	30	BDAC	
NC[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1	87044432	HTUNYZPQHUVNFC-JGVFFNPUSA-N	209.249	1.126	0	30	BDAC	
CN(CCN)Cc1ccc2c(c1)CCC2	70621887	APGXKFGNVOGUOK-UHFFFAOYSA-N	204.317	1.566	0	30	BDAC	
O=C1C=CC[C@@H]2[C@@H]3CCCN4CCC[C@@H](CN12)[C@@H]34	2117629	AAGFPTSOPGCENQ-XPCVCDNBSA-N	246.354	1.648	0	30	BDAC	biogenic
Cc1cc2nc3c(c(O)n2n1)CSC3	165818	QNLFDQSUTUIETE-UHFFFAOYSA-N	207.258	1.490	0	30	BDAC	
NCCc1cc2c(cc1Br)OCO2	44396572	ONJSEBYNUNMRLB-UHFFFAOYSA-N	244.088	1.679	0	30	BDAC	
NCc1ccccc1CN1CCC[C@@H]1CO	42432737	WNQZZIGYKMXIFT-CYBMUJFWSA-N	220.316	1.102	0	30	BDAC	in-vitro
Nc1nc(-c2cccnc2)nc(N2CCCC2)n1	3623852	IMUIJUULNYJRNM-UHFFFAOYSA-N	242.286	1.116	0	30	BDAC	
COCc1nc2c(C(=O)O)cccc2[nH]1	62137072	SIRBHXFWTMYNFA-UHFFFAOYSA-N	206.201	1.408	0	30	BDAC	
O=C1CCCN1c1ccc2c(c1)CCN2	70821405	FXYGZFZIJJPRGT-UHFFFAOYSA-N	202.257	1.781	0	30	BDAC	
Cc1cc2c(S(N)(=O)=O)cccc2cn1	95943657	OFBWLUCHBZRQJM-UHFFFAOYSA-N	222.269	1.191	0	30	BDAC	
COC(=O)c1sc(C(=O)O)cc1C	204581885	MXXIBUKFKYBEBG-UHFFFAOYSA-N	200.215	1.541	0	30	BDAC	
CCCCc1c(O)nc(SC)nc1O	8648788	PZDBCHPQACENCW-UHFFFAOYSA-N	214.290	1.952	0	30	BDAC	
N[C@H](CSCCc1ccccc1)C(=O)O	19442194	RHAPIQQNFJCBPR-SNVBAGLBSA-N	225.313	1.374	0	30	BDAC	in-vitro
Cn1cc(-c2cc(=O)c3cc(F)ccc3o2)nn1	95842540	FSBXLWZFNCJGOW-UHFFFAOYSA-N	245.213	1.728	0	30	BDAC	
Cn1cncc1CNc1cccc(C(=O)O)c1	90165276	VHRFXCXGALPDKX-UHFFFAOYSA-N	231.255	1.730	0	30	BDAC	
CCc1ccccc1C1(O)CC(C(=O)O)C1	95616565	LOSFMNSNHQISRO-UHFFFAOYSA-N	220.268	1.931	0	30	BDAC	
CNc1ccc(C(=O)NN2CCCCC2)o1	39126847	SMGRWAGWKJIZTH-UHFFFAOYSA-N	223.276	1.452	0	30	BDAC	
CCOC(=O)c1ccnc(N2CCN(C)CC2)c1	2524963	HGMRXLZVAAVHGD-UHFFFAOYSA-N	249.314	1.010	0	30	BDAC	
N=C1CC(=O)N=C2SC(C(F)(F)F)=NN12	4300679	FQKPZTNGJKPRFJ-UHFFFAOYSA-N	236.178	1.175	0	30	BDAC	
CC(C)(C)OC(=O)N1CC=C[C@]1(C)C(=O)O	38953244	WJYCQYFBOULWQN-LLVKDONJSA-N	227.260	1.637	0	30	BDAC	
O=S1(=O)CCc2ccc(Br)cc21	39209527	FUHDZKNBAPRMHD-UHFFFAOYSA-N	247.113	1.779	0	30	BDAC	
OCc1c(Br)noc1C1CC1	258527669	PSKSOKNAPOEGJD-UHFFFAOYSA-N	218.050	1.807	0	30	BDAC	
c1ncc2ncn([C@H]3CCCCO3)c2n1	39650987	LJXYKPCGNZYRFJ-SECBINFHSA-N	204.233	1.525	0	30	BDAC	
O=C(O)Cc1c(F)c(F)cc(F)c1F	43502626	FEWXCSFHJUKZQP-UHFFFAOYSA-N	208.110	1.870	0	30	BDAC	
COc1ccccc1N1CCN[C@H](C)CC1	49660833	LLRXTHCYGIMTOI-LLVKDONJSA-N	220.316	1.883	0	30	BDAC	
CN(Cc1nccs1)[C@@H]1CC12CCNCC2	231354547	NKJBHGKTTHVRFF-SNVBAGLBSA-N	237.372	1.717	0	30	BDAC	
COC(=O)/C=C/C(=O)Nc1ccccc1	70126	YKDPLKWAVZDAJU-BQYQJAHWSA-N	205.213	1.354	0	30	BDAC	
COc1ccc2c(c1)C1(CCNCC1)CN2	79032903	ZLEZPHYAAPOMFB-UHFFFAOYSA-N	218.300	1.742	0	30	BDAC	
CC(C)C[C@@H](ONC(=O)OC(C)(C)C)C(=O)O	230826154	VISUHONLYVGLKN-MRVPVSSYSA-N	247.291	1.942	0	30	BDAC	
COc1ccccc1OC[C@H]1NCCS1	27562022	RVDKSQDMEIWCNB-NSHDSACASA-N	225.313	1.737	0	30	BDAC	
N[C@@H](Cc1ccc2c(c1)CCC2)C(=O)O	44283870	BATKNSRXBJINMN-NSHDSACASA-N	205.257	1.130	0	30	BDAC	
CC(C)(C)OC(=O)N1CC([C@@H]2CC[C@@H]2N)C1	95836133	QNLRPEHTOVOWAR-UWVGGRQHSA-N	226.320	1.591	0	30	BDAC	
CCOC(=O)C1(c2cnn(C)c2)CCC1	260008227	GGXGXPOZZYXCEW-UHFFFAOYSA-N	208.261	1.405	0	30	BDAC	
CC[C@@H](C)[C@H](NC)[C@H](CC(=O)O)OC	308466138	GHCBYDBRCQYPPL-WEDXCCLWSA-N	203.282	1.110	0	30	BDAC	
CCOC(=O)c1cc(C)c(CC)nc1N	34300600	XGNCXDLRXXYHJD-UHFFFAOYSA-N	208.261	1.711	0	30	BDAC	
COc1cc(Cl)cc(C(=O)O)c1N	71790411	RBTMYPGXTXTKBM-UHFFFAOYSA-N	201.609	1.629	0	30	BDAC	
COC(=O)N[C@H]1CC[C@H](NC(=O)OC)CC1	754243324	RPCPEKVNPMGVJL-ZKCHVHJHSA-N	230.264	1.010	0	30	BDAC	
OCCOCCCCOCc1ccccc1	201731446	URKDALPBEKHWMW-UHFFFAOYSA-N	224.300	1.992	0	30	BDAC	
Cn1cc([C@H]2NC(=O)NC2=O)c2ccccc21	207585030	LEAPGJZKAATGFE-SNVBAGLBSA-N	229.239	1.059	0	30	BDAC	
CCOC(=O)c1cccc2c1NC(=O)C2	238295326	HONYVPVJQHKTHE-UHFFFAOYSA-N	205.213	1.358	0	30	BDAC	
CCCNCC(=O)Nc1ccc(C)cc1	20056584	HKUBDTYOQOWVSH-UHFFFAOYSA-N	206.289	1.933	0	30	BDAC	
COC(=O)[C@@H](N)c1cc(F)cc(F)c1	84932722	MIFHKOUGNLCIIJ-QMMMGPOBSA-N	201.172	1.138	0	30	BDAC	
N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1	35679790	JIWBRKIXAIFOSC-ZCFIWIBFSA-N	212.199	1.029	0	30	BDAC	in-vitro
CCc1ccc(O)c(C(=O)c2cn[nH]c2)c1	32501326	MWQUOKMHPIXZTL-UHFFFAOYSA-N	216.240	1.909	0	30	BDAC	
COC(=O)C(=O)c1c[nH]c2cc(OC)ccc12	90548230	MIMMFXABEZXZPQ-UHFFFAOYSA-N	233.223	1.532	0	30	BDAC	
O=C1O[C@H](C(F)(F)F)N=C1c1ccccc1	110621	GOUDGRBOWFMVRW-SECBINFHSA-N	229.157	1.921	0	30	BDAC	
CCCC[C@]1(OCC)OC(=O)C[C@H]1O	38761991	VVQHRPBXFIIVBL-SCZZXKLOSA-N	202.250	1.217	0	30	BDAC	
COC(=O)[C@H]1Cc2cccc(OC)c2C1	38435210	FDNXBUIKAOQJAK-VIFPVBQESA-N	206.241	1.583	0	30	BDAC	
CCOC(=O)c1csc(OC(F)F)n1	39121856	GDGBIFJYRQGCPR-UHFFFAOYSA-N	223.200	1.921	0	30	BDAC	
O=C(O)C1(n2cc(Br)cn2)CCC1	723848367	CCYVNFLEOCWRQO-UHFFFAOYSA-N	245.076	1.609	0	30	BDAC	
C[C@]12CCC(=O)C[C@@H]1CCC21OCCO1	196459636	ASPJLFLVEGLAPQ-ONGXEEELSA-N	210.273	1.899	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(=O)C2(CCC2)C1	306189956	VVXLGQXXASEZNA-UHFFFAOYSA-N	225.288	1.977	0	30	BDAC	
CCOC(=O)[C@H]1CC[C@](C)(C(=O)O)C1	319381865	ROSIFZHEMNPRSU-XVKPBYJWSA-N	200.234	1.441	0	30	BDAC	
COC(=O)c1cc(CC(=O)O)cc2c1OCC2	2265383606	DOKCJWOLHNFVFA-UHFFFAOYSA-N	236.223	1.035	0	30	BDAC	
CCOC(=O)N1CCC2(CC1)CC(=O)[C@H](C)O2	1433158	MJSGPUXKCNLSHS-VIFPVBQESA-N	241.287	1.355	0	30	BDAC	
CCOC(=O)c1sc([C@H](C)N)nc1C	11887485	XWWBIXQHBFLETK-YFKPBYRVSA-N	214.290	1.648	0	30	BDAC	
COc1ccc([C@H]2[C@H](CO)CC(=O)N2C)cc1	68575844	JGWMURNQDNQMFL-GWCFXTLKSA-N	235.283	1.207	0	30	BDAC	in-vitro
CCn1c(-n2nc(C(=O)O)cc2C)cccc1=O	953023053	CZDJUAVFEWIYRS-UHFFFAOYSA-N	247.254	1.061	0	30	BDAC	
COC(=O)CC(=O)Cc1cc(F)ccc1F	39315191	AEGPZKRGCWQLGN-UHFFFAOYSA-N	228.194	1.640	0	30	BDAC	
CNCC1=CN(C(=O)OC(C)(C)C)CC1	35028211	MARCOSZCCRYKSC-UHFFFAOYSA-N	212.293	1.731	0	30	BDAC	
COc1ncc(Br)nc1C	95774802	CTXMHAHRFINOEF-UHFFFAOYSA-N	203.039	1.556	0	30	BDAC	
COC[C@@H](Oc1cc(F)cc(F)c1)C(=O)O	232391232	PRSFJSWCWKYSHB-SECBINFHSA-N	232.182	1.443	0	30	BDAC	
O=C(N[C@H]1CC[C@@H](O)CC1)c1ccccc1	238714062	BZUUTGWBZYOHDM-HAQNSBGRSA-N	219.284	1.720	0	30	BDAC	
O=C(NC(=O)c1ccccc1O)c1ccoc1	157585	WTZWAGSBCKGCCG-UHFFFAOYSA-N	231.207	1.555	0	30	BDAC	
COC(=O)c1c(C)noc1-c1snnc1C	122432	SLKVFHRAVOHWPB-UHFFFAOYSA-N	239.256	1.597	0	30	BDAC	
CC(=O)N1CCc2ccc(C(=O)O)cc2C1	115060043	GVTXQXLJNMCOKZ-UHFFFAOYSA-N	219.240	1.289	0	30	BDAC	
CN(C)CCCNC(=O)OCC(F)(F)F	87304679	DFHUBMGJXJHGBT-UHFFFAOYSA-N	228.214	1.227	0	30	BDAC	
Cn1ccnc1[C@H](N)c1ccc(F)cc1F	41042398	BMXKPFBLESVBPY-SNVBAGLBSA-N	223.226	1.746	0	30	BDAC	
CCOC(=O)C(F)(F)[C@H]1CCC(=O)C1	82164222	RFZZLLYZIMHVAC-LURJTMIESA-N	206.188	1.554	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)NCC[C@@H](F)C(=O)O	694885114	PCSNITIMCCDDPY-ZCFIWIBFSA-N	221.228	1.324	0	30	BDAC	
CCOC(=O)c1c[nH]c(SCC)n1	1038722	JXBQMOCPNDCKOP-UHFFFAOYSA-N	200.263	1.698	0	30	BDAC	
COc1cc2sc(C)[n+](CCO)c2cc1C	6070428	CDXJUOQHHSYGQN-UHFFFAOYSA-N	238.332	1.807	0	30	BDAC	
NC(=O)N1CCO[C@H](c2ccccc2)C1	73895072	CTWIHNPPBQFQLI-JTQLQIEISA-N	206.245	1.139	0	30	BDAC	
C/C=C/[C@H]1OC[C@@H](COC(=O)CCC)O1	38613920	ICPQFQAABAQGLG-AQXIBQBTSA-N	214.261	1.647	0	30	BDAC	
Cc1cc(F)ccc1[C@H]1NCC[C@@H]1CO	39105737	GNDLBXBPPPOBCB-SKDRFNHKSA-N	209.264	1.777	0	30	BDAC	
NCCNC(=S)N[C@H]1CCc2ccccc21	1554713951	GDLAPLYVJBLIJJ-NSHDSACASA-N	235.356	1.097	0	30	BDAC	
COc1ccnc(Br)c1O	145224015	FXJIGRUZHKUPJQ-UHFFFAOYSA-N	204.023	1.558	0	30	BDAC	
CCC[C@H](C)C[C@]1(C)OC[C@@H](CO)O1	238250092	HCQGPTLIUCZCNL-HBNTYKKESA-N	202.294	1.937	0	30	BDAC	
COC(=O)[C@@]1(C(=O)O)C[C@H]1c1ccccc1	141880523	KICBKCDHFFGKCB-CABZTGNLSA-N	220.224	1.418	0	30	BDAC	
COC(=O)[C@@](C)(N)Cc1ccc(Cl)cc1	57517815	RLPQEFRRIIZSJH-NSHDSACASA-N	227.691	1.773	0	30	BDAC	
O=C(O)C(Cc1cccc(Cl)c1)=NO	384195530	WEWDNUIRWDRNPO-UHFFFAOYSA-N	213.620	1.797	0	30	BDAC	
CC(=O)O[C@@H](CNN=O)c1ccccc1	201170194	NRWCFONAUNSLMH-JTQLQIEISA-N	208.217	1.562	0	30	BDAC	
O[C@H]1C(=Cc2ccco2)N2CCC1CC2	2265237591	UIORZKKKSRXHFS-GFCCVEGCSA-N	205.257	1.707	0	30	BDAC	
COC(=O)c1csc2ncnc(O)c12	575442289	SLOUJQZEGRARST-UHFFFAOYSA-N	210.214	1.184	0	30	BDAC	
O=C1CN(C2CCNCC2)c2ccccc2N1	43501176	AMNYVTQNHZUOOO-UHFFFAOYSA-N	231.299	1.197	0	30	BDAC	
N#Cc1cnc(F)cc1Br	113703214	OQWIYQNQXBDNBU-UHFFFAOYSA-N	200.998	1.855	0	30	BDAC	
Cc1cnc2c(n1)c(C)cc1c2nc(N)n1C	5160315	SNMBQVDTTQLUAP-UHFFFAOYSA-N	227.271	1.716	0	30	BDAC	
O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F	100486251	AUZBEXWVMFBWAT-KAZBKCHUSA-N	210.151	1.427	0	30	BDAC	in-vitro
COc1ccc(-n2nnc(CN)c2C)cc1	20391008	QGGNLTHKPPJUFS-UHFFFAOYSA-N	218.260	1.043	0	30	BDAC	
OCc1ccc(I)s1	21993314	VTPZGZASDXXIQL-UHFFFAOYSA-N	240.065	1.845	0	30	BDAC	
CC1(C(=O)O)CCN(c2ccncc2)CC1	62843747	AVPJDPXNTAOBRA-UHFFFAOYSA-N	220.272	1.773	0	30	BDAC	
O=CN[C@H](Cc1cccc(Cl)c1)C(=O)O	69553304	KIFYKKHRSGEPKV-SECBINFHSA-N	227.647	1.082	0	30	BDAC	in-vitro
C[C@H]1[C@@H](C)N[C@H](C)CN1C(=O)OC(C)(C)C	307526735	IPQYEIDFNYVNKF-BBBLOLIVSA-N	228.336	1.992	0	30	BDAC	
CC[C@H]1NCCN(Cc2ccccc2)C1=O	39102044	KNCGLCCRTWMOON-GFCCVEGCSA-N	218.300	1.397	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CCOC(=O)CC1	1536220671	XVZXEVNLPPLQOM-QMMMGPOBSA-N	229.276	1.607	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCNC2)C1	83135127	NSYCYVWHKGRXGP-MNOVXSKESA-N	240.347	1.853	0	30	BDAC	
Cc1c(N)cccc1N1C(=O)CCNC1=O	238851103	FBIYTWHTUGYCCX-UHFFFAOYSA-N	219.244	1.024	0	30	BDAC	
O=C1CCCC[C@@H](C(=O)OCc2ccccc2)N1	98095384	BGMLBAAZDMGRCO-LBPRGKRZSA-N	247.294	1.789	0	30	BDAC	
O=C(O)[C@@H]1COc2c(Cl)cccc2C1	82372212	UDKQQZGONLQYLV-ZETCQYMHSA-N	212.632	1.976	0	30	BDAC	
CC(C)(C)OC(=O)NC1(CCCN)CC1	259236136	DNNQFAMEYYSVIP-UHFFFAOYSA-N	214.309	1.783	0	30	BDAC	
Brc1ccnc2c1CCO2	214981084	PACWSSXODVBWOX-UHFFFAOYSA-N	200.035	1.779	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1[C@@H](C(=O)O)[C@@H]2CC[C@H]21	2265384669	HBLBLUNEVYQKEG-LURQLKTLSA-N	241.287	1.620	0	30	BDAC	
CC[C@H](CO)NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	102934231	YQMXYJDDIUYATG-MMWGEVLESA-N	242.388	1.410	0	30	BDAC	
NC(=O)[C@@]1(N)CCc2cccc(Cl)c2C1	38435884	LXWLBLVBZVLAJV-LLVKDONJSA-N	224.691	1.012	0	30	BDAC	
Brc1cnn([C@H]2CCCOC2)c1	72193394	QUPIIQFKOXWGME-QMMMGPOBSA-N	231.093	1.997	0	30	BDAC	
Cc1c(Br)c[nH]c(=O)c1C	84232363	PTIDDSJVNIIEGL-UHFFFAOYSA-N	202.051	1.754	0	30	BDAC	
CCCCCOC(=O)CCC(=O)CN	2509483	XVNIJEYEHHBPPR-UHFFFAOYSA-N	201.266	1.028	0	30	BDAC	
CC(=O)N(C)c1nnc(-c2cccnc2)s1	1356736	RCFDKQTVFIKMTL-UHFFFAOYSA-N	234.284	1.583	0	30	BDAC	
O=C(OCc1ccccc1)N1CC[C@H]2CNC[C@H]21	39151558	BHVKKCNFHLRFDD-QWHCGFSZSA-N	246.310	1.617	0	30	BDAC	
Oc1cnc(Br)c(F)c1O	238729043	AXNLVAVCSOFQTC-UHFFFAOYSA-N	207.986	1.394	0	30	BDAC	
CCOC(=O)[C@@H](N)c1ccc(OC)c(F)c1	76134560	IJNXURUYPARBDD-JTQLQIEISA-N	227.235	1.397	0	30	BDAC	
CNN1C(=O)c2cccc3cccc(c23)C1=O	99062	PSJLUGHZJARPHV-UHFFFAOYSA-N	226.235	1.570	0	30	BDAC	
Cc1ccc(S(=O)(=O)NC2CC=CC2)cc1	39121768	FFSQVTSZRRDXMW-UHFFFAOYSA-N	237.324	1.992	0	30	BDAC	
CC1(C)OC[C@@H]([C@@H](O)Cc2ccccc2)O1	4293829	FFKVHXYMWXJVNT-RYUDHWBXSA-N	222.284	1.742	0	30	BDAC	
O=C(O)Cc1cc(Cl)nnc1Cl	39207663	RRYFSTCBDIVYKJ-UHFFFAOYSA-N	207.016	1.411	0	30	BDAC	
Cc1ncsc1CN1CC[C@H](N)[C@H](C)C1	70837084	ZGGBOVXSOJOKKA-SCZZXKLOSA-N	225.361	1.621	0	30	BDAC	
O=c1[nH]c2c3c(ccc2s1)CCNC3	84462196	FWGVBYBPVOOPOC-UHFFFAOYSA-N	206.270	1.235	0	30	BDAC	
CC(C)(C)OC(=O)N1CC=C(CN)CC1	91675890	JUNBPSANVJHLJD-UHFFFAOYSA-N	212.293	1.512	0	30	BDAC	
N[C@@H]1CCOc2nc(C(F)(F)F)ccc21	238623565	WBGJBAQVGFHKSH-ZCFIWIBFSA-N	218.178	1.883	0	30	BDAC	
O=C(NC1CSC1)c1ccc(F)nc1	702333920	UAOZWLJQDIAIQA-UHFFFAOYSA-N	212.249	1.066	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CCC[C@]1(C)O	200995735	LEGONGASYNNKAJ-KWQFWETISA-N	215.293	1.815	0	30	BDAC	
CCOC(=O)c1cnc2onc(C)c2c1O	13464098	JPLHVMJHJQXEQM-UHFFFAOYSA-N	222.200	1.414	0	30	BDAC	
COC(=O)[C@H]1C[C@](O)(c2ccc(O)cc2)C1	757121375	MMONCMJMYCVWFE-LYWQIFSTSA-N	222.240	1.163	0	30	BDAC	
FC(F)(F)c1ccn([C@@H]2CCCNC2)n1	43298973	NKMNOYDMGSWCJV-SSDOTTSWSA-N	219.210	1.826	0	30	BDAC	in-vitro
CC(=O)Nc1ccc(C[C@@H](C)O)cc1[N+](=O)[O-]	146791489	MCSMSATUIVCTDA-SSDOTTSWSA-N	238.243	1.477	0	30	BDAC	
CC(C)(C)OC(=O)C1CC2(CC[C@H](CN)O2)C1	669371726	VIKVRVRILDDJRV-RUETXSTFSA-N	241.331	1.615	0	30	BDAC	
NC(=O)N1CCO[C@]2(CCc3ccccc32)C1	152466760	CFPFEAUFXKXEIQ-CYBMUJFWSA-N	232.283	1.239	0	30	BDAC	
NC(=S)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@H]21	100242854	DHWGVLNGJNHMLY-FHNUBNKASA-N	208.330	1.420	0	30	BDAC	
CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(CO)C1	536948268	BPQDFEAZIMHEIB-JOYOIKCWSA-N	245.319	1.393	0	30	BDAC	
CCc1ccc(N)c(C(=O)OC)c1OC	39087099	VSBJZXVBEURIJH-UHFFFAOYSA-N	209.245	1.626	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H](CCO)C(F)(F)F	219317405	TZWCTEOOFZIQRY-LURJTMIESA-N	243.225	1.824	0	30	BDAC	
NCC1(c2cccc(Br)n2)CC1	83323847	JDNWHVHTUQZMRG-UHFFFAOYSA-N	227.105	1.834	0	30	BDAC	
Cc1cc(C(=O)O)cc(S(C)(=O)=O)c1C	36893781	YNJAAUWGWDLSCB-UHFFFAOYSA-N	228.269	1.405	0	30	BDAC	
N=C1SCCN1[C@H](CO)c1ccccc1	38611733	VWBZXUVULAKRBT-SNVBAGLBSA-N	222.313	1.704	0	30	BDAC	
O=C1c2ccc(F)cc2CC12CCNCC2	95803749	KEDXQEPUPSNRKA-UHFFFAOYSA-N	219.259	1.934	0	30	BDAC	
Cn1c(S)nnc1-c1ccc2nonc2c1	171044	NXWUHCYZVRKKLA-UHFFFAOYSA-N	233.256	1.307	0	30	BDAC	
CCOC(=O)c1csc([C@H](C)N)n1	36138962	BIHAKLFZRIHNNM-YFKPBYRVSA-N	200.263	1.340	0	30	BDAC	
CN[C@H](CC(=O)OC)Cc1ccccc1	74478972	BZSLXQYKHBSSCA-NSHDSACASA-N	207.273	1.380	0	30	BDAC	
CC(C)(C)OC(=O)N1CC([C@H]2CC[C@@H]2N)C1	95836135	QNLRPEHTOVOWAR-ZJUUUORDSA-N	226.320	1.591	0	30	BDAC	
Cc1cccc(C)c1NC(=O)[C@H]1NCCC[C@H]1O	218986207	DYXRIXPETFIMFR-YPMHNXCESA-N	248.326	1.355	0	30	BDAC	
COc1cc(N)cc(I)c1	38977679	BVUBIWPMRYHPBW-UHFFFAOYSA-N	249.051	1.882	0	30	BDAC	
CC(C)(C)NC(=O)c1ccccc1CO	138524897	MDNJMSNAIMZUNN-UHFFFAOYSA-N	207.273	1.707	0	30	BDAC	
C[S@@](=O)Cc1ccc([S@@](C)=O)cc1	221196295	VISBHIRBQQIRON-CHWSQXEVSA-N	216.327	1.303	0	30	BDAC	
Cc1ccccc1C(=O)[C@H](O)CN(C)C	200568678	XJAPQQYXUWCHEV-LLVKDONJSA-N	207.273	1.100	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@H]1C1(N)CC1	216225335	MOCKQDBHBGTJRW-VIFPVBQESA-N	226.320	1.877	0	30	BDAC	
O=C1C[C@H]2CCC[C@@H](CN1)N2Cc1ccccc1	95642511	FLAQNBAVKBCRBH-KGLIPLIRSA-N	244.338	1.930	0	30	BDAC	
Cc1nc(C(F)(F)F)sc1CCN	66351362	YPJISCIMBMCJNE-UHFFFAOYSA-N	210.224	1.972	0	30	BDAC	
CSCCNC(=O)c1ccccc1N	4306429	OUIXPANUQQPGIN-UHFFFAOYSA-N	210.302	1.362	0	30	BDAC	
CCOC(Cc1n[nH]c(=S)n1C)OCC	15924066	MIYFPKAORVXLDU-UHFFFAOYSA-N	231.321	1.419	0	30	BDAC	
O=C1COC[C@H](NC(=O)OCc2ccccc2)C1	59243830	IJVLKKPUPGVGAM-LLVKDONJSA-N	249.266	1.271	0	30	BDAC	
CN[C@H]1CCCCN(C(=O)OC(C)(C)C)C1	76675786	BLSRUKYVCUYXKP-JTQLQIEISA-N	228.336	1.995	0	30	BDAC	
COc1ccc2c(c1)C=C(S(N)(=O)=O)CC2	95829209	CPEWXXQAQCGRQD-UHFFFAOYSA-N	239.296	1.271	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)C1(C)C	1535639658	WLNBYSQWIFLHTR-IUCAKERBSA-N	229.320	1.918	0	30	BDAC	
CN=[S@](=O)(c1ccc(N)cc1)N(C)C	238316983	VNWDHAJQRIOCTA-CQSZACIVSA-N	213.306	1.202	0	30	BDAC	
O=C1C=CC[C@@H]2[C@@H]3CCCN4CCC[C@H](CN12)[C@H]34	5282946	AAGFPTSOPGCENQ-QVHKTLOISA-N	246.354	1.648	0	30	BDAC	biogenic
CCOC(=O)c1nc(SC)nnc1Cl	34068577	IDPWPXUCACWUGB-UHFFFAOYSA-N	233.680	1.424	0	30	BDAC	
O=c1c2c(c1=O)Nc1cc(F)ccc1N2	100206505	QMRONFMTRYCNMP-UHFFFAOYSA-N	204.160	1.222	0	30	BDAC	
COC(=O)C(C)(C)c1ccc(O)c(C=O)c1	150089296	ZKXFIGCCMCSNJU-UHFFFAOYSA-N	222.240	1.655	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(n2nccc2N)C1	685939324	WEIXBFGBRMKOGG-UHFFFAOYSA-N	238.291	1.257	0	30	BDAC	
O=C(O)[C@@H]1CCn2cc(C(F)(F)F)nc2C1	536955622	RBVNAXXBMRDKCS-RXMQYKEDSA-N	234.177	1.549	0	30	BDAC	
c1ccc(CN2CC[C@H]3OCCN[C@H]3C2)cc1	250648558	NQOZBPSEWFZGRL-UONOGXRCSA-N	232.327	1.249	0	30	BDAC	
CC(C)(C)OC(=O)N1CCN(C2CC2)CC1	39953772	UNCLAXHNVIYBNX-UHFFFAOYSA-N	226.320	1.702	0	30	BDAC	
CCOC(=O)C1C[C@@H]2CSC[C@H](C1)C2=O	116514836	VNSRCYKIRONQPW-CBLAIPOGSA-N	228.313	1.508	0	30	BDAC	
Cc1cnc2c(cc(C)c3c2nc(N)n3C)n1	5160252	KASHHSSXHKXMQF-UHFFFAOYSA-N	227.271	1.716	0	30	BDAC	
CSC1=N[C@@H](C)N2C(SC)=N[C@@H](C)N12	138045	USCZLURPZSEAII-PHDIDXHHSA-N	230.362	1.663	0	30	BDAC	
C[C@@H](N)c1ccncc1Br	214268059	DJYGWCCHLKHAHP-RXMQYKEDSA-N	201.067	1.864	0	30	BDAC	
COC(=N)NC(=O)OCc1ccccc1	34528357	MLYVUDZUFYUWHE-UHFFFAOYSA-N	208.217	1.494	0	30	BDAC	
O[C@]1(C(F)(F)F)CC(c2ccncc2)=NN1	170703	PASVNUQASGMQRA-QMMMGPOBSA-N	231.177	1.030	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@](C)(CCN)C1	258887682	NDLRXCOKZBFTMX-LBPRGKRZSA-N	228.336	1.982	0	30	BDAC	
O=C(O)Cn1nnnc1-c1ccccc1Cl	34426814	QEDKGBFNWSTYHU-UHFFFAOYSA-N	238.634	1.078	0	30	BDAC	
CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1O	138883001	QGIAXCPKXOERCB-NSHDSACASA-N	219.284	1.416	0	30	BDAC	
COC(=O)c1cnn(Cc2ccccc2)c1	35322842	RCNVVQCDCWXUEH-UHFFFAOYSA-N	216.240	1.718	0	30	BDAC	in-vitro
COc1ccc(Cn2nc(N)cc2C)cc1	139847606	XXKYRXQRSRDCAR-UHFFFAOYSA-N	217.272	1.831	0	30	BDAC	
CNC(=S)Nc1ccc(F)cc1F	88789	KZSZGGVUSFIQIN-UHFFFAOYSA-N	202.229	1.881	0	30	BDAC	
Cc1cc(Cc2cccs2)c(=O)[nH]n1	79015	QNZHWTVYOBZWSV-UHFFFAOYSA-N	206.270	1.731	0	30	BDAC	
C[C@H](C(=O)O)N1CSCCSC1	521399221	VYLOVQSYVKDJAY-ZCFIWIBFSA-N	207.320	1.157	0	30	BDAC	in-vitro
CCCC[C@](CC)(NC(=O)CCl)C(=O)O	39135712	LNPTXCKFSZVVKK-JTQLQIEISA-N	235.711	1.765	0	30	BDAC	
Cc1nnc2cnc(C(=O)OC(C)(C)C)cn12	536948321	XGLWLXPLDUXSPA-UHFFFAOYSA-N	234.259	1.388	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H](N)CC12CC2	687826863	IJJRQHGQGVOOTP-SECBINFHSA-N	226.320	1.877	0	30	BDAC	
CC1(C)CN(Cc2ccccc2)C[C@H]1O	38866899	CLPRUSDTBLKDJO-GFCCVEGCSA-N	205.301	1.889	0	30	BDAC	
CC(=O)c1ncnn1-c1ccccc1C	214299069	HPHHLWMWWSTAJD-UHFFFAOYSA-N	201.229	1.778	0	30	BDAC	
N[C@@H]1CCO[C@H]1c1nccn1-c1ccccc1	238854719	OWAHJAFDTMVXCV-VXGBXAGGSA-N	229.283	1.661	0	30	BDAC	
C[C@@]1(CN)CCCN1C(=O)c1cccnc1	259230665	RJBRVHIFZIRVRU-LBPRGKRZSA-N	219.288	1.035	0	30	BDAC	
CCOC(=O)[C@H]1C[C@@H](C(F)(F)F)CCN1	716768561	LYYMARWKSIBKPA-NKWVEPMBSA-N	225.210	1.480	0	30	BDAC	
COC(=O)[C@@](C)(F)C(=O)c1ccccc1	38258819	FYFHWEKLNCVNSL-NSHDSACASA-N	210.204	1.771	0	30	BDAC	
COc1cnc(F)c(Br)c1	238407960	YSJKSOJQHWPDDC-UHFFFAOYSA-N	206.014	1.992	0	30	BDAC	in-vitro
CCOC(=O)[C@H](Cc1ccsc1)NC(C)=O	141675468	AEJCKDFUNRICMC-JTQLQIEISA-N	241.312	1.358	0	30	BDAC	
Oc1ccc2c(c1)[C@H]1OCCN[C@H]1CC2	33499758	RCTXZLWJOZFFFZ-NWDGAFQWSA-N	205.257	1.368	0	30	BDAC	in-vitro
COc1ccc(C(N)=O)cc1OC(C)C	171199	UBCOLEFQRBNSCW-UHFFFAOYSA-N	209.245	1.581	0	30	BDAC	
CC[C@]1(CCC(C)C)OC[C@H](CO)O1	5651332	HNGJBTVYNSPFPZ-QWRGUYRKSA-N	202.294	1.937	0	30	BDAC	
CCc1nn(C(N)=S)c2c1CCCCN2	3698123	KMVHRRHPOSZECM-UHFFFAOYSA-N	224.333	1.285	0	30	BDAC	
C[S@@](=O)Nc1ccc(F)c(C(=O)O)c1	307594133	IGRPJVZLUIJYTC-CQSZACIVSA-N	217.221	1.229	0	30	BDAC	
COc1cccc([C@@H]2NCC[C@H]2C(=O)O)c1	75421846	BEQFGVOUHJNOCT-MNOVXSKESA-N	221.256	1.430	0	30	BDAC	
CCOC(=O)[C@@H]1CNc2ccc(C)cc2O1	95936132	VLMNRPYUZSIGRK-NSHDSACASA-N	221.256	1.731	0	30	BDAC	
COC(=O)c1cc(C(=O)O)c(C)s1	1535631988	QJEKWFGEKYTQGA-UHFFFAOYSA-N	200.215	1.541	0	30	BDAC	
NC(=S)c1ccnc(C(F)(F)F)c1	238591488	RSEKKUYNUNVMGU-UHFFFAOYSA-N	206.192	1.735	0	30	BDAC	in-vitro
c1cc(N2CCCC2)cc(C[C@@H]2CCCN2)n1	34444902	YMMIOBGUVVBKIW-LBPRGKRZSA-N	231.343	1.976	0	30	BDAC	
COC(=O)[C@H]1CC[C@@H](C(F)(F)F)CN1	307641037	ICPGSLGKPXNNJN-PHDIDXHHSA-N	211.183	1.090	0	30	BDAC	
COC(=O)[C@@H](N)CCSC(F)(F)F	38283973	DTALGEBYGIEZOU-BYPYZUCNSA-N	217.212	1.130	0	30	BDAC	
CN[C@H]1CCN(C(=O)OC(C)(C)C)CC12CC2	215248905	IUTDTPZAIKVWEE-JTQLQIEISA-N	240.347	1.995	0	30	BDAC	
CCOC(=O)[C@H]1CC1(OCC)OCC	39099176	MEVRHKJVFIEBSU-MRVPVSSYSA-N	202.250	1.339	0	30	BDAC	
N[C@@H](CC(Cl)(Cl)Cl)C(=O)O	79036722	YNHXZVOUQZRMJP-REOHCLBHSA-N	206.456	1.159	0	30	BDAC	
Cc1ncnc2c1ncn2[C@H]1CCCCO1	141116453	WBWYVTCATBCSLB-SECBINFHSA-N	218.260	1.834	0	30	BDAC	
N[C@@H]1CC[C@H](c2ccccc2)C[C@H]1CO	41701804	LUMAPUYZQIKJQG-RWMBFGLXSA-N	205.301	1.890	0	30	BDAC	
COCCn1c(CCN)nc2ccccc21	36724553	KQHXLWPAALNTRT-UHFFFAOYSA-N	219.288	1.184	0	30	BDAC	
CC[C@@H](C)[C@H]1COC(=O)N1C1CCNCC1	206419791	AFFUVFKAZLRYON-MWLCHTKSSA-N	226.320	1.605	0	30	BDAC	
CCOC(=O)c1cc(C)nc(C(=O)OCC)c1	72233157	UUOUWIYQOHUPOB-UHFFFAOYSA-N	237.255	1.743	0	30	BDAC	
CCc1ocnc1I	2265384529	PQEQTQHGSBUAIE-UHFFFAOYSA-N	223.013	1.842	0	30	BDAC	
COC(=O)c1ccn(-c2ccccc2F)n1	78312589	AKUXMCDUDUXGKZ-UHFFFAOYSA-N	220.203	1.798	0	30	BDAC	in-vitro
N[C@H](Cc1cc(Cl)nc(Cl)c1)C(=O)O	44287515	HIUMJVSCVUFUFW-RXMQYKEDSA-N	235.070	1.343	0	30	BDAC	
COC(=O)c1cc(C)nc(Cl)c1N	82382401	AHEBSXQWKXZJER-UHFFFAOYSA-N	200.625	1.412	0	30	BDAC	in-vitro
Fc1ccc(OC[C@H]2CNCCO2)cc1F	35811642	FWGZLYHSKGFEEA-SECBINFHSA-N	229.226	1.332	0	30	BDAC	in-vitro
CCOC(=O)C[C@@H]1CCOC[C@@H]1OCC	259619353	HTXQFDSQCCUSSI-UWVGGRQHSA-N	216.277	1.381	0	30	BDAC	
N[C@H]1CCCN(c2cc(F)cc(F)c2)C1	43470498	ZZOJPVBXMIQUEZ-JTQLQIEISA-N	212.243	1.892	0	30	BDAC	
CCCCOCCO[C@H](C)CO[C@H](C)CO	33638055	LOXNJBRAZNAGGB-VXGBXAGGSA-N	234.336	1.606	0	30	BDAC	
Ic1cnc2n1CCCC2	95830165	UVYQJJUVLUJDET-UHFFFAOYSA-N	248.067	1.824	0	30	BDAC	
CCOc1cc(C(=O)O)cc(C(=O)OC)c1	147393005	QMDJKFOKWXQLFB-UHFFFAOYSA-N	224.212	1.570	0	30	BDAC	
O=C(O)c1cc(O)c(Br)cc1F	95080311	YJWYQJFRTMPNFX-UHFFFAOYSA-N	235.008	1.992	0	30	BDAC	
Cn1c(COc2ccccc2)cnc1C(=O)O	258007300	CLWAOTMEPSHHDW-UHFFFAOYSA-N	232.239	1.697	0	30	BDAC	
Cc1ccc([C@@H]2CNC[C@H](C(=O)O)C2)cc1	82162752	SGEXGOHIRXHOLR-NWDGAFQWSA-N	219.284	1.773	0	30	BDAC	
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CN	84237640	VPXZKRWMVPGJEQ-VHSXEESVSA-N	228.336	1.838	0	30	BDAC	
C[C@H](NC(=O)OC(C)(C)C)C1(CN)CC1	696041704	GWFSLWSBNMXKND-QMMMGPOBSA-N	214.309	1.639	0	30	BDAC	
O=S(=O)(O)c1ccc(C(F)(F)F)cc1	59442376	RLTPXEAFDJVHSN-UHFFFAOYSA-N	226.175	1.952	0	30	BDAC	
Nc1cc(Cl)ccc1OCC(=O)O	40907155	MKZNQHZWFOIXNT-UHFFFAOYSA-N	201.609	1.386	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](N)[C@H]2CC[C@@H]21	690292458	STNLXBOEVNCCSZ-UTLUCORTSA-N	226.320	1.733	0	30	BDAC	
Cc1ccccc1-n1nnnc1[C@H](C)C(=O)O	216670586	ZLOOFNBVTHODIM-QMMMGPOBSA-N	232.243	1.159	0	30	BDAC	
N[C@@H](CCO)c1cccc(OC(F)(F)F)c1	44232895	GXJHQFQPGIMRQW-VIFPVBQESA-N	235.205	1.967	0	30	BDAC	in-vitro
O=C(O)[C@@H]1CCO[C@@H](c2ccccc2)O1	145389733	AWRXHWTXLRTSEO-GXSJLCMTSA-N	208.213	1.575	0	30	BDAC	in-vitro
COc1cc([C@H]2CNCCO2)ccc1F	82952999	QGZXXACRUFZISH-LLVKDONJSA-N	211.236	1.495	0	30	BDAC	
O=Cc1nc(Br)ccc1O	95774026	WXXYTQPPYLYQGA-UHFFFAOYSA-N	202.007	1.362	0	30	BDAC	
COC(=O)[C@]1(F)CCCCCCC1=O	757175537	QALOVNLUOJPBGW-JTQLQIEISA-N	202.225	1.791	0	30	BDAC	
Brc1ccc2c(n1)OCCO2	84309190	QQDVANQTHRNTAE-UHFFFAOYSA-N	216.034	1.615	0	30	BDAC	
NC(=O)[C@@H](O)c1ccc(F)cc1C(F)(F)F	34506896	XLKAAJNVWNLDTN-ZETCQYMHSA-N	237.152	1.363	0	30	BDAC	
O=C1OCCCOC(=O)c2cccc1c2	113321622	DLAPJRRJGUIWTG-UHFFFAOYSA-N	206.197	1.404	0	30	BDAC	
C[C@@H]1C[C@H](NC(=S)NCCO)CC(C)(C)C1	3180571	VLVUHHONVJIBBY-ZJUUUORDSA-N	244.404	1.658	0	30	BDAC	
Cc1nn(CC(F)F)c(C)c1C(=O)O	20348907	IYHBREVOPWDTBF-UHFFFAOYSA-N	204.176	1.463	0	30	BDAC	in-vitro
S=C(N[C@H]1C[C@H]2C=C[C@H]1C2)N1CCOCC1	100234628	FURIJBKDJCMSHC-DCAQKATOSA-N	238.356	1.158	0	30	BDAC	
COc1ccc(CC2OCCO2)cc1O	2265351933	OBRCVTYGRBQYCT-UHFFFAOYSA-N	210.229	1.316	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@]12CC[C@@H](C[C@H]1N)C2	757215669	WONVKJXCDMWUQZ-YGOYTEALSA-N	226.320	1.781	0	30	BDAC	
Cc1ccc(=O)n(Cc2ccccc2C)n1	92325	HURRSFHPXDHLLR-UHFFFAOYSA-N	214.268	1.908	0	30	BDAC	
O=C(CCCO)NCc1ccc(F)cc1	4324835	SBSPYHWRGOXXLG-UHFFFAOYSA-N	211.236	1.214	0	30	BDAC	
Oc1cccc2c3c(ccc12)C[C@@H](O)CN3	34064367	DTAFUEOJPSQELT-SECBINFHSA-N	215.252	1.874	0	30	BDAC	
Cc1nc2n(c1Br)CCN[C@@H]2C	98095575	QLQAVGHTJLHJCT-ZCFIWIBFSA-N	230.109	1.618	0	30	BDAC	
CCn1c(C(F)(F)F)ccc(N)c1=O	32629172	RITSFVJFPNZMEP-UHFFFAOYSA-N	206.167	1.469	0	30	BDAC	
CCOC(=O)C[C@H](O)c1ccc(O)cc1	52248696	VFECLPAQJPJOEU-JTQLQIEISA-N	210.229	1.379	0	30	BDAC	
CCOC(=O)[C@@H]1CC[C@@](C)(C(=O)O)C1	319381858	ROSIFZHEMNPRSU-GMSGAONNSA-N	200.234	1.441	0	30	BDAC	
CN(N)c1ccc(OC(F)(F)F)cc1	204828303	OUFUMHNIBUSORA-UHFFFAOYSA-N	206.167	1.895	0	30	BDAC	
c1ccc2c(c1)CN[C@H](CN1CCOCC1)C2	20071473	TYZRNPQQOHJMIQ-AWEZNQCLSA-N	232.327	1.033	0	30	BDAC	
O=c1onc(-c2cccnc2)n1-c1ccccc1	78256	NLYNQKMHOYNVSY-UHFFFAOYSA-N	239.234	1.888	0	30	BDAC	
O=C(N1C[C@H]2C=CCC[C@@H]2C1)C(F)(F)F	39055798	TWRGGEBFZHEKMV-HTQZYQBOSA-N	219.206	1.973	0	30	BDAC	
CC(=O)c1ccc2c(c1)nc(CO)n2C	39384280	CDHIAFMPEFFVPV-UHFFFAOYSA-N	204.229	1.268	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCNC1	82327498	SWXKQKRTYYRLEM-GHMZBOCLSA-N	240.347	1.995	0	30	BDAC	
COc1ccc(C=O)cc1CCC(=O)O	16942416	DAMVEFLBUAGRIX-UHFFFAOYSA-N	208.213	1.525	0	30	BDAC	
CCOC(=O)c1cc(=O)c2ccc(O)c(N)c2o1	32265281	VMIKOFWLMLWGKO-UHFFFAOYSA-N	249.222	1.258	0	30	BDAC	
CO[C@@H]1C[C@H](N)CC[C@H]1NC(=O)OC(C)(C)C	144772723	HOBKKRZRCCJJSZ-OPRDCNLKSA-N	244.335	1.406	0	30	BDAC	
CCOC(=O)[C@H]1CCCCN1CC(F)(F)F	75608802	GGFAFQWTYBSAGH-MRVPVSSYSA-N	239.237	1.966	0	30	BDAC	
CC(C)(C)[C@@]12CNCC[C@@H]1CN2C(=O)O	114318857	GRDKYARCMDIHSO-LDYMZIIASA-N	212.293	1.374	0	30	BDAC	
CC(C)=CCC[C@H](C)C[C@H](O)S(=O)(=O)O	6020504	FENZKIHQZXDTDV-VHSXEESVSA-N	236.333	1.965	0	30	BDAC	
Nc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1	3888725	OFWFFDCOBHXZME-UHFFFAOYSA-N	248.307	1.583	0	30	BDAC	in-vitro
CCN(CC)Cn1cnc2ccccc2c1=O	6311457	PQWOUGYQWNQVSI-UHFFFAOYSA-N	231.299	1.696	0	30	BDAC	
CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2N	756957832	DMBGWVCELMTFCO-BBBLOLIVSA-N	226.320	1.733	0	30	BDAC	
C[C@]1(c2cccs2)OC[C@H](CO)O1	2037907	HOANEJPRHBZMAR-CBAPKCEASA-N	200.259	1.329	0	30	BDAC	
COC(=O)[C@@H](C)CS(=O)(=O)c1ccccc1	35757102	PNNZEINSFNGHTH-VIFPVBQESA-N	242.296	1.269	0	30	BDAC	
COc1cccc(-n2ncc(C(=O)O)c2N)c1	41260316	BMQQQHIJWXOTJK-UHFFFAOYSA-N	233.227	1.161	0	30	BDAC	
COc1ccc([S@@](=O)O)c(Cl)c1	82532733	BFBLXYUGFIKJNQ-UHFFFAOYSA-N	206.650	1.929	0	30	BDAC	
CCOC(=O)CC[C@H](N)c1ccncc1	260022430	GWTGUPKHGDKFBB-JTQLQIEISA-N	208.261	1.425	0	30	BDAC	
CCCC[C@@]1(O)C(=O)c2ccccc2N(C)C1=O	3958079	QWZGZYRXESDJLX-CQSZACIVSA-N	247.294	1.767	0	30	BDAC	
Cc1cc(C)cc(C(=O)N2CCC(N)CC2)c1	20345246	OBPWCAYJZUZMSR-UHFFFAOYSA-N	232.327	1.867	0	30	BDAC	
O=C(OCc1ccccc1)N1CC(=O)C2(CC2)C1	218937600	WZDCORNUBNODFC-UHFFFAOYSA-N	245.278	1.988	0	30	BDAC	
OC[C@H](O)c1cccc(Br)c1	90697441	RPYUQIBEBQYKTK-QMMMGPOBSA-N	217.062	1.475	0	30	BDAC	in-vitro
CO[C@H]1C=C(Br)[C@H](OC)O1	38313019	RUBCKABMZZZEAK-PHDIDXHHSA-N	209.039	1.240	0	30	BDAC	
N[C@H](CO)c1ccc(C(F)(F)F)c(F)c1	72198451	RHPCYPZQMMYPPR-MRVPVSSYSA-N	223.169	1.837	0	30	BDAC	
NCCc1ccc(OCC(F)(F)F)nc1	95883851	LNOLHXYXVNUTTH-UHFFFAOYSA-N	220.194	1.524	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](CO)[C@@H]2C1	211788864	JFAKHELXPGAHHG-GARJFASQSA-N	241.331	1.872	0	30	BDAC	
CCc1cc(O)cc(C)c1C[C@H](N)C(=O)O	34519371	FDVCSUHOGQHREY-NSHDSACASA-N	223.272	1.217	0	30	BDAC	
Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2F)cc1	4255896	YLBSKDWNNUCKSV-VHSXEESVSA-N	229.276	1.384	0	30	BDAC	
O=C(O)C(=O)c1cc(Br)co1	1536038580	FKPSBCSDZILYEQ-UHFFFAOYSA-N	218.990	1.309	0	30	BDAC	
O=C1CCC(=O)OC[C@@H]2CCCC[C@H]2CO1	38647357	WUYDLFIACLRMNK-UWVGGRQHSA-N	226.272	1.673	0	30	BDAC	
CCOC(CN)(OCC)c1ccccn1	79930499	MTSYSCPESIOASP-UHFFFAOYSA-N	210.277	1.266	0	30	BDAC	in-vitro
COc1cc(OC)c2c(c1)OCC[C@H]2N	36204559	TVMVIJPIRBELNT-MRVPVSSYSA-N	209.245	1.486	0	30	BDAC	
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CN	229300907	CUDBAIMCAHHOKR-RKDXNWHRSA-N	214.309	1.591	0	30	BDAC	
CCc1nnc2nc(-c3ccccc3)cnn12	33890826	YIQMYYRXCWRZLJ-UHFFFAOYSA-N	225.255	1.749	0	30	BDAC	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CCN)O1	687762678	DUXPNWAYHPWSLH-VHSXEESVSA-N	244.335	1.360	0	30	BDAC	
C[C@H](NC(=O)OC(C)(C)C)C1(CO)CC1	696069003	QFSLBIHRHAQJNT-QMMMGPOBSA-N	215.293	1.672	0	30	BDAC	
CN1C(=O)SC(=Cc2cccnc2)C1=O	2265237589	KYABXUKESWXWIT-UHFFFAOYSA-N	220.253	1.748	0	30	BDAC	
O=c1c(Nc2ccccn2)ccc2n1CCC2	26897334	QDEBBLKMWGJZLA-UHFFFAOYSA-N	227.267	1.933	0	30	BDAC	
COc1ccc(-c2ccc(C=O)cc2)nn1	34441285	MLJSJSJWDPJXFH-UHFFFAOYSA-N	214.224	1.965	0	30	BDAC	
CC(C)(C)OC(=O)NCCNC1CC1	39091288	CUZUDXYCBRXRBQ-UHFFFAOYSA-N	200.282	1.263	0	30	BDAC	
NC(=S)c1cccc(NC(=O)c2cn[nH]c2)c1	62777537	CFARJMXRLPCKRN-UHFFFAOYSA-N	246.295	1.296	0	30	BDAC	
O=C1CNCc2ccc(Br)cc2N1	213110306	FUBCIHPCOHLNAM-UHFFFAOYSA-N	241.088	1.491	0	30	BDAC	
CCCCOCCO[C@@H](C)CO[C@@H](C)CO	33638049	LOXNJBRAZNAGGB-RYUDHWBXSA-N	234.336	1.606	0	30	BDAC	
CCCCNC(=O)CCCCC(=O)O	35721343	HJRVIAMDGIAEFX-UHFFFAOYSA-N	201.266	1.548	0	30	BDAC	
COc1ccc2c(c1)OC(C)(C)CNC2	213390474	XQPKDOZXNBJOIV-UHFFFAOYSA-N	207.273	1.956	0	30	BDAC	
COc1ccc(-c2ccc(N)nc2)cn1	52886392	KXEDQNGUZPLWKD-UHFFFAOYSA-N	201.229	1.734	0	30	BDAC	
CC(C)Oc1nc(=O)cc(C(F)(F)F)[nH]1	136316376	SEOQOJYLMCNCKC-UHFFFAOYSA-N	222.166	1.576	0	30	BDAC	
CC(=O)O[C@@]12C[C@H]3C[C@@H](C1)C[C@](C(=O)O)(C3)C2	585139121	CWYSSFRCRALTAK-QZHINBJYSA-N	238.283	1.973	0	30	BDAC	
CSc1nnc(SCC(N)=S)s1	4394454	QWDAOSBREHPXJD-UHFFFAOYSA-N	237.400	1.638	0	30	BDAC	
O=C(O)CC(CC(=O)O)c1cc(F)cc(F)c1	16697769	QZZKCORFMJMYJP-UHFFFAOYSA-N	244.193	1.998	0	30	BDAC	
Cc1cnc(-c2nc(C(=O)O)c(C)[nH]2)cn1	77588847	VIRPRSNRWDOTBW-UHFFFAOYSA-N	218.216	1.182	0	30	BDAC	
COC(=O)[C@H]1CCCc2ccccc2C1=O	34217413	JDXIXQIVFXMNGR-NSHDSACASA-N	218.252	1.995	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)Nc1cncc(C(=O)O)n1	238208464	DWEBQCIGOAMRTR-UHFFFAOYSA-N	239.231	1.522	0	30	BDAC	
COc1cccc([C@@]23CO[C@@H](C2)[C@@H]3C(=O)O)c1	757547116	WSSJHMWSSZWDTC-LOWVWBTDSA-N	234.251	1.436	0	30	BDAC	
COC(C)(C)CN1CCC(C)(N)CC1	704597578	QWUDQLHDETWSHJ-UHFFFAOYSA-N	200.326	1.225	0	30	BDAC	
CCCCc1nc(C#N)c(C#N)nc1C	39613181	GFUJWAPYFMKGTB-UHFFFAOYSA-N	200.245	1.871	0	30	BDAC	
CC(=O)OCOC(=O)c1ccc(S)cc1	22062056	WPRPHZZMLQHYNK-UHFFFAOYSA-N	226.253	1.653	0	30	BDAC	in-vitro
NC(=S)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@H]12	100242848	DHWGVLNGJNHMLY-MQIGXGKASA-N	208.330	1.420	0	30	BDAC	
CNC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	3010505	AAZMHUWBYVBUKN-SECBINFHSA-N	244.335	1.672	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@]21C(=O)O	307460001	AVQWMFPNWOIVFJ-UFBFGSQYSA-N	241.287	1.861	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H](N)[C@@H](C2CC2)C1	144133445	AODHHHHJHRBGHB-NXEZZACHSA-N	226.320	1.591	0	30	BDAC	
CCOC(=O)Cc1nc(Cc2ccccc2)no1	93233448	SLMFEPBZDHRLKY-UHFFFAOYSA-N	246.266	1.766	0	30	BDAC	
CC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)O)CC1	514268712	KOPSGCSSBLKUES-GWOFURMSSA-N	239.315	1.792	0	30	BDAC	
COc1cccc(CN2CCC(C(=O)O)CC2)c1	3747648	YKVCZMYYQZNQDK-UHFFFAOYSA-N	249.310	1.992	0	30	BDAC	
O=c1[nH]c2ccccc2n1-c1ncccn1	95930558	NJOYFEACNUECPD-UHFFFAOYSA-N	212.212	1.109	0	30	BDAC	
CN1CCC[C@@]12C(=O)Nc1ccccc12	33858270	ZCVYHVLSXBQOBF-GFCCVEGCSA-N	202.257	1.560	0	30	BDAC	
Cc1cc2c(=O)c(C(=O)O)cn(C)c2s1	35570239	HLYLAAAWHBSNMK-UHFFFAOYSA-N	223.253	1.607	0	30	BDAC	
CC(C)(C(=O)O)n1cc(-c2ccncc2)nn1	72159673	PVQLLFSVYOAUSV-UHFFFAOYSA-N	232.243	1.160	0	30	BDAC	
Cc1cc(=O)[nH]c(NC(=O)C(C)(C)C)n1	13468363	WDUQNPOSKKTZBD-UHFFFAOYSA-N	209.249	1.063	0	30	BDAC	
Cc1ccc([C@H]2CNC[C@H](C(=O)O)C2)cc1	82162750	SGEXGOHIRXHOLR-VXGBXAGGSA-N	219.284	1.773	0	30	BDAC	
O=C(O)C1(c2cccc(Br)n2)CC1	95761258	FOXBNSKSPDSXKE-UHFFFAOYSA-N	242.072	1.960	0	30	BDAC	
O=c1[nH]cnc2[nH]cc(-c3ccccc3)c12	96933980	DPFDUWXYLLEHIJ-UHFFFAOYSA-N	211.224	1.918	0	30	BDAC	
O[C@@H]1CCCn2c(Br)cnc21	258167375	BOSKCKSGQMXXQI-RXMQYKEDSA-N	217.066	1.473	0	30	BDAC	
CN[C@H](C(=O)OC)c1cccc(OC)c1	37458453	MZEKGBZMHREMKD-JTQLQIEISA-N	209.245	1.129	0	30	BDAC	
CCOC(=O)C[C@@H]1CCCCC12OCCO2	96300460	RQCRKRWTYLZRSX-JTQLQIEISA-N	228.288	1.873	0	30	BDAC	in-vitro
CC[C@@H]1C(=O)NC(=O)N(C2=CCCCC2)C1=O	111902710	LJCNUGBNIVRARQ-SECBINFHSA-N	236.271	1.549	0	30	BDAC	
CC1=C(C)[C@@H]2[C@@H](C(=O)C1=O)[C@H]1C=C[C@H]2C1	100067756	WMUDGOYDHACLBK-NAKRPEOUSA-N	202.253	1.913	0	30	BDAC	
N[C@@H](C(=O)O)c1ccc2ccccc2n1	4204129	UFXOPNDKLIRULH-SNVBAGLBSA-N	202.213	1.319	0	30	BDAC	
NCc1cnc(Cc2ccc(O)cc2)s1	259315563	RMQIAQRPYYNNPD-UHFFFAOYSA-N	220.297	1.898	0	30	BDAC	
CC(C)(C)OC(=O)Nn1ccc(=O)cc1	39093616	JUOZFDHCIGBEQK-UHFFFAOYSA-N	210.233	1.327	0	30	BDAC	
Cc1[nH]c(=O)c(C)cc1Br	139570271	DMFCCKOZBSJHQJ-UHFFFAOYSA-N	202.051	1.754	0	30	BDAC	
COc1ccc(OC2CCNCC2)c(F)c1	144173499	ZDUQTJWAPGPOIE-UHFFFAOYSA-N	225.263	1.965	0	30	BDAC	
COC(=O)C[C@@H](C(=O)O)c1ccccc1	337965	PVVCFPXSLBVQBN-SECBINFHSA-N	208.213	1.418	0	30	BDAC	
CCO[C@@H]1C[C@H](N)[C@H]1Oc1ccccc1	238853412	JRKQERSGLFDFAY-QJPTWQEYSA-N	207.273	1.570	0	30	BDAC	
Cc1cc2c3c(c1)c(O)cc(=O)n3CCC2	100402064	QBNAZLAEFIZDGK-UHFFFAOYSA-N	215.252	1.962	0	30	BDAC	
NCC1[C@@H]2CN(Cc3ccccc3)C[C@@H]12	101016104	UNLBCCJUBAVNHR-STQMWFEESA-N	202.301	1.323	0	30	BDAC	
COc1ccc([C@]2(C(=O)O)C[C@H](O)C2)cc1	521399185	LFTFNYUHJMESTD-OTCDBFHCSA-N	222.240	1.172	0	30	BDAC	
COc1ccc([C@H](C)N)cc1Cn1cccn1	37642509	FJEZKUSODUTIEB-JTQLQIEISA-N	231.299	1.960	0	30	BDAC	
CC(C)(C)OC(=O)n1ccc(C(=O)O)c1	220518831	REFCYMTXUSPOOM-UHFFFAOYSA-N	211.217	1.970	0	30	BDAC	
NC(=O)c1cncn1-c1cccnc1Cl	95751867	HTNRKCWNCQUTCN-UHFFFAOYSA-N	222.635	1.020	0	30	BDAC	
N[C@@H](CO)c1ccc(OCC(F)F)cc1	215888346	FPKACVZCEAUVEL-VIFPVBQESA-N	217.215	1.323	0	30	BDAC	
COc1cnn([C@H]2CCCOC2)c(=O)c1Cl	91366077	RSIGJIFJRZTISC-ZETCQYMHSA-N	244.678	1.257	0	30	BDAC	
CN(C)C[C@@H](O)c1cc(F)c(F)c(F)c1	204518123	QEMPOWXQAVOYFY-SECBINFHSA-N	219.206	1.699	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@H]21	2265384670	HBLBLUNEVYQKEG-UYXSQOIJSA-N	241.287	1.620	0	30	BDAC	
Cc1nn(-c2ccccc2)c(N)c1C(N)=S	126801	OKSFDLLFOGFMRJ-UHFFFAOYSA-N	232.312	1.397	0	30	BDAC	
CCOC(=O)C1=C(C)N2CCCN=C2S1	158130	NTVHZTUWMAMRSQ-UHFFFAOYSA-N	226.301	1.590	0	30	BDAC	
CC[C@H](C)OC(=O)C(=O)O[C@H](C)CC	5922329	MTLJANFMXKYOAV-OCAPTIKFSA-N	202.250	1.670	0	30	BDAC	
COC(=O)[C@@H](N)Cc1ccnc2ccccc12	69604107	JFUVBYPWQODCML-NSHDSACASA-N	230.267	1.278	0	30	BDAC	
COC(=O)[C@](C)(F)C(=O)c1ccccc1	38258817	FYFHWEKLNCVNSL-LLVKDONJSA-N	210.204	1.771	0	30	BDAC	
COC(=O)[C@H]1COc2ccc(OC)cc21	238334701	GXNJDGIYLPBLJK-VIFPVBQESA-N	208.213	1.344	0	30	BDAC	
c1ccc(CN2CC[C@H]3CCN[C@@H]32)cc1	238033638	BLJHUEHDYDJFMY-CHWSQXEVSA-N	202.301	1.828	0	30	BDAC	
CC1(C)C[C@@H](N)CN1C(=O)c1cccnc1	259296392	VXYUJNPICIDMRO-SNVBAGLBSA-N	219.288	1.033	0	30	BDAC	
CN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	261508719	WEHOHRVKNXQJLJ-ZDUSSCGKSA-N	240.347	1.949	0	30	BDAC	
COC(=O)N[C@H](C(=O)OCCl)C(C)C	218923734	BOBMMJJMRLKXID-LURJTMIESA-N	223.656	1.107	0	30	BDAC	
COc1cc(C(=O)O)cc(OC)c1C(=O)O	5732464	XZZNMOQLQQVIFN-UHFFFAOYSA-N	226.184	1.100	0	30	BDAC	biogenic
NCC12CC(CN1Cc1ccccc1)C2	407985694	JEDPMGPTUSZLSC-UHFFFAOYSA-N	202.301	1.610	0	30	BDAC	
O=C(O)c1nc(Br)n2ccsc12	211720234	ANMCFWAAEKLQEO-UHFFFAOYSA-N	247.073	1.857	0	30	BDAC	
Cc1cc(C2(C(=O)O)CCOCC2)on1	82373720	MRIJLKQBVLPOCU-UHFFFAOYSA-N	211.217	1.116	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(/C=C/[N+](=O)[O-])C1	307371483	UAZCLSMUAALZAX-SNAWJCMRSA-N	228.248	1.644	0	30	BDAC	
Clc1nc2ncc(Br)cn2n1	220621242	DRGUISMSDLHNCO-UHFFFAOYSA-N	233.456	1.540	0	30	BDAC	
O=C1CCCN1c1cccc(Br)n1	44118016	LLAAHULUUFXMDX-UHFFFAOYSA-N	241.088	1.971	0	30	BDAC	
COCCCn1c(O)cc(C)nc1=S	12369421	YGOGCFFFHLIRSH-UHFFFAOYSA-N	214.290	1.663	0	30	BDAC	
N[C@H](c1ccccc1)[C@H](O)C(F)(F)F	20281456	GFSZBXASMXIZSV-SFYZADRCSA-N	205.179	1.610	0	30	BDAC	in-vitro
CCn1nc(C)cc1-c1nnc(S)n1C	121158	IRFLORFRHKELFL-UHFFFAOYSA-N	223.305	1.296	0	30	BDAC	
CS(=O)(=O)CCCCCCCCCC(N)=O	2383316	MZXDOHVJCAJUKK-UHFFFAOYSA-N	249.376	1.637	0	30	BDAC	biogenic,in-vitro
COCc1cc(O)n(Cc2ccccc2)n1	116603105	LDCYWMLATSFDHC-UHFFFAOYSA-N	218.256	1.783	0	30	BDAC	
Cc1cc(=O)c2c([N+](=O)[O-])c(O)ccc2o1	32253478	LSQUNMSVIZHSSX-UHFFFAOYSA-N	221.168	1.715	0	30	BDAC	
C[C@@]1(c2ccc(Cl)cc2)CC(=O)NC1=O	34975171	UUGLTVQGULWIPD-NSHDSACASA-N	223.659	1.644	0	30	BDAC	
COC(=O)[C@H](CN)c1ccc(Cl)cc1	57496950	OFTXIFNBTWHKFG-SECBINFHSA-N	213.664	1.555	0	30	BDAC	
CCOC(=O)c1nc([C@@H](N)CC(C)C)n[nH]1	85443458	NEGRNXARMXLAPK-ZETCQYMHSA-N	226.280	1.027	0	30	BDAC	in-vitro
COC(=O)[C@@H](O)C1CCC(C)(C)CC1	85445569	CUEDYSVKMGQVSH-VIFPVBQESA-N	200.278	1.737	0	30	BDAC	
CCCCCC(=O)[C@@H](C(C)=O)C(=O)OCC	100289919	IMBGUKJEVQHNPC-LLVKDONJSA-N	228.288	1.904	0	30	BDAC	
COc1ccc(OCC(C)=O)cc1OC	136484883	SIJALJFDGDFUSE-UHFFFAOYSA-N	210.229	1.672	0	30	BDAC	
NC[C@H]1CCCC[C@H]1Cc1noc(O)n1	90608913	AUUWFLGYTLJQOV-JGVFFNPUSA-N	211.265	1.083	0	30	BDAC	
Brc1cc(N2CCOCC2)ncn1	95775234	TZDFFGBFXNERJO-UHFFFAOYSA-N	244.092	1.076	0	30	BDAC	
CCN(Cc1noc(C)n1)[C@H]1CCCNCC1	98095704	PGRZAJXNNHBIFE-NSHDSACASA-N	238.335	1.342	0	30	BDAC	
O=C1Nc2c(ccc3c2OC(F)(F)O3)C1=O	39326103	UKDPBEFYCKEVMU-UHFFFAOYSA-N	227.122	1.143	0	30	BDAC	
CCn1c(=NN)n(CC)c2ccccc21	100258375	MDHHETYVGMUKQP-UHFFFAOYSA-N	204.277	1.257	0	30	BDAC	
C[S@](=N)(=O)c1ccc(Cl)cc1N	695050181	CVAXOOHBFKGEAR-LBPRGKRZSA-N	204.682	1.958	0	30	BDAC	
COC(=O)Cc1ccc2cccnc2n1	91691644	GDGZICOSMUXYFB-UHFFFAOYSA-N	202.213	1.345	0	30	BDAC	
OCc1ccc(OCCN2CCCC2)cc1	9237350	VQTVUGIHYCXTRL-UHFFFAOYSA-N	221.300	1.654	0	30	BDAC	
Cc1ccc(C(=O)c2cncn2C)cn1	126033208	ZFYHDXZZLIRENX-UHFFFAOYSA-N	201.229	1.355	0	30	BDAC	in-vitro
CC[C@H](C)[C@H](NC)[C@H](CC(=O)O)OC	379525744	GHCBYDBRCQYPPL-NRPADANISA-N	203.282	1.110	0	30	BDAC	
O=c1c2sccc2nc2n1CCCC2	11064	MDBDJWQGOKYJOW-UHFFFAOYSA-N	206.270	1.794	0	30	BDAC	
CC(C)(C)C(=O)C(C#N)=CNCCC(=O)O	2549915	AABYRGVYGPYURD-UHFFFAOYSA-N	224.260	1.073	0	30	BDAC	
OC[C@]1(Cc2ccccc2)CCCCN1	238696537	RLENHBASZWTSRF-CYBMUJFWSA-N	205.301	1.734	0	30	BDAC	
COC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C	33975922	NSBWPLARUDPFIE-VIFPVBQESA-N	243.303	1.853	0	30	BDAC	
O=C1Cc2cc(CCO)c(Cl)cc2N1	135774860	NUHXUEKZKMZDGW-UHFFFAOYSA-N	211.648	1.369	0	30	BDAC	
O=C(O)CC[C@@H]1CCC[C@@H](CCC(=O)O)C1=O	4336269	VNBPUTCYQIGOAH-IUCAKERBSA-N	242.271	1.701	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C12CCC2	306788184	WXGBLIVTVFWNQT-IUCAKERBSA-N	227.304	1.815	0	30	BDAC	
Cc1cc(C(F)(F)F)cc([S@](=O)O)n1	1535542792	ZESJPJDOMWDESU-UHFFFAOYSA-N	225.191	1.989	0	30	BDAC	
CCN1C[C@@H](Cc2ccccc2)NCC1=O	35270172	FMNGPEBVOMESKQ-GFCCVEGCSA-N	218.300	1.049	0	30	BDAC	
CNc1ccc(I)cc1N	85101295	AOLOFBKQDULYTM-UHFFFAOYSA-N	248.067	1.915	0	30	BDAC	
CC[C@@H]1C[C@@]1(O)C[C@H]1COC(C)(C)O1	39100643	GBRWKWGFTBKOFL-WCABBAIRSA-N	200.278	1.689	0	30	BDAC	
CCOC(=O)[C@@H](N)Cc1c(F)cccc1F	44339784	MCVJOZJBVQCTIG-JTQLQIEISA-N	229.226	1.398	0	30	BDAC	
N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1	261734303	MCSNMEVYCLODDS-WDEREUQCSA-N	244.260	1.975	0	30	BDAC	in-vitro
O=C(O)C[C@@H]1C(=O)Nc2c(F)cccc21	71483356	KENIHQJWLICTGU-LURJTMIESA-N	209.176	1.336	0	30	BDAC	
Cc1ccsc1CNC(=O)CCC(=O)O	147817	YTZDJWXZPIYUGQ-UHFFFAOYSA-N	227.285	1.538	0	30	BDAC	
CC(=O)Nc1ccc(Cl)cc1S(=O)(=O)O	33608410	GMUKKLAKFURIIX-UHFFFAOYSA-N	249.675	1.545	0	30	BDAC	in-vitro
OCc1cnc(-c2cc(F)ccc2F)nc1	35323414	BXFDJXBGNXQNMY-UHFFFAOYSA-N	222.194	1.914	0	30	BDAC	
N[C@@H]1CCO[C@H]1c1cncc(Br)c1	125181187	BIYWLJOOUXCBQB-BDAKNGLRSA-N	243.104	1.633	0	30	BDAC	
CCOC(=O)c1ccc(-n2nc(C)oc2=O)cc1	384884	BOOOWLMWJIQIJY-UHFFFAOYSA-N	248.238	1.311	0	30	BDAC	
COC(=O)c1ccc2c(=O)cc(C)[nH]c2c1	32914899	KSJSSSXPGHDQFS-UHFFFAOYSA-N	217.224	1.623	0	30	BDAC	
CC/N=c1/oc(C)c(C(=O)OC)s1	39085002	OOZDGEFEEMCFOB-HJWRWDBZSA-N	201.247	1.357	0	30	BDAC	
O=c1[nH]c2ccnc(Br)c2[nH]1	237976343	QQLPMIJFVLAJMP-UHFFFAOYSA-N	214.022	1.014	0	30	BDAC	
O=C(COc1ccccc1Cl)N1CC1	2005276	YTAWTKWPIQOXTI-UHFFFAOYSA-N	211.648	1.561	0	30	BDAC	
CN1CC[C@H](c2ccccc2)C[C@H]1C(=O)O	238854034	MFDXFGCQIALBKU-RYUDHWBXSA-N	219.284	1.949	0	30	BDAC	
CC(=O)OCc1cc(Br)ccn1	40448649	NAODUHQACVSGGR-UHFFFAOYSA-N	230.061	1.907	0	30	BDAC	
CCOC(=O)c1sc([C@@H](C)N)nc1C	11887480	XWWBIXQHBFLETK-RXMQYKEDSA-N	214.290	1.648	0	30	BDAC	
Cc1cccc(C)c1-n1nnnc1[C@H](C)N	231704500	SAICGPOCXARMOV-VIFPVBQESA-N	217.276	1.299	0	30	BDAC	
CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F	107258961	SMVLBVMSJITGKF-SFYZADRCSA-N	218.272	1.163	0	30	BDAC	
Cn1nc([C@@H]2C[C@H]2C(=O)O)c2ccccc21	1535829064	HXAURPVDLSPCAU-RKDXNWHRSA-N	216.240	1.761	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CCCOC1	82610575	IVRNZSUSBWOSMV-MRVPVSSYSA-N	201.266	1.690	0	30	BDAC	
C[C@H](C(=O)O)c1cn(C)nc1C(F)(F)F	83306709	FHSGBOHKJWBLRB-BYPYZUCNSA-N	222.166	1.627	0	30	BDAC	
COc1ccc2ccc(=O)oc2c1C=O	14611158	AOXODSXRUFTUGB-UHFFFAOYSA-N	204.181	1.614	0	30	BDAC	biogenic,in-vitro
CCC[C@@H]1OC(=O)[C@@H](CCC)OC1=O	96328540	KIFNCRCPGMECJU-OCAPTIKFSA-N	200.234	1.424	0	30	BDAC	
Cc1nc(C2CCNCC2)nc2c1CCC2	258714419	ZUGFBKVFNNRHIX-UHFFFAOYSA-N	217.316	1.741	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1CN	258114975	ZLRUCMLJPOPJKQ-VIFPVBQESA-N	228.336	1.981	0	30	BDAC	
COC(=O)c1ccc(C[C@@H](C)CO)cc1	39117815	BANBEJVSLPOVCM-SECBINFHSA-N	208.257	1.644	0	30	BDAC	
FC(F)(F)c1ccc(N2CCNCC2)cn1	83357802	FCNLATMNOJLXID-UHFFFAOYSA-N	231.221	1.510	0	30	BDAC	
CNC[C@H](O)c1cc(O)ccc1Cl	106880012	GNOJWXXZHRSIPN-VIFPVBQESA-N	201.653	1.298	0	30	BDAC	in-vitro
COC(=O)c1cccc(C(=O)OC)c1Cl	20863048	GYYDONBDGBHVTE-UHFFFAOYSA-N	228.631	1.913	0	30	BDAC	in-vitro
Nc1ccc(C(=O)NCc2ccncc2)cc1	20193372	QAGZEYSYZCLCSG-UHFFFAOYSA-N	227.267	1.594	0	30	BDAC	
COc1ccc(OC)c2c1C[C@H]2C(=O)O	35049936	DCRFVEFGQKRCAR-SSDOTTSWSA-N	208.213	1.428	0	30	BDAC	
NC(=O)c1cnc(-c2ccccc2F)nc1	35323382	HZJBBHSANAZJIM-UHFFFAOYSA-N	217.203	1.382	0	30	BDAC	
CC[C@@H](C)[C@@H](NC)[C@@H](CC(=O)O)OC	142739270	GHCBYDBRCQYPPL-NQMVMOMDSA-N	203.282	1.110	0	30	BDAC	
c1cc2c(cc1OC[C@H]1CCOC1)CCNC2	257925479	GRAGSIQJYQHDFD-NSHDSACASA-N	233.311	1.748	0	30	BDAC	
Cc1ccc(CN2CCO[C@@H](CN)C2)cc1	11885832	XYEYAYNRWWUWDU-ZDUSSCGKSA-N	220.316	1.155	0	30	BDAC	in-vitro
CSc1ccccc1NC(=N)NC(=N)N	20459009	RGVSKKLRICJSNS-UHFFFAOYSA-N	223.305	1.238	0	30	BDAC	
COc1ccccc1-c1nnc(C(=O)O)[nH]1	82326762	MWJPEPMXELTOIK-UHFFFAOYSA-N	219.200	1.179	0	30	BDAC	
COc1cc(F)c(C(=O)O)c(F)c1F	306515152	CMQBFZOCKBPCDG-UHFFFAOYSA-N	206.119	1.811	0	30	BDAC	
CC(C)(C)OC(=O)C1(C(=N)NO)CCC1	390822230	XKVOJQDRCONDFQ-UHFFFAOYSA-N	214.265	1.454	0	30	BDAC	
Cc1cc(NC(=S)NCCO)ccc1F	3119381	JTOXUGIEDBYYKQ-UHFFFAOYSA-N	228.292	1.413	0	30	BDAC	
NC(=O)N[C@@H]1CCC(=O)c2sccc21	4214350	KNKOUDKOHSNMEL-ZCFIWIBFSA-N	210.258	1.434	0	30	BDAC	in-man
COC(=O)c1cnc2c(C=O)c[nH]c2c1	44712937	KERXVNUPNCNJTQ-UHFFFAOYSA-N	204.185	1.162	0	30	BDAC	in-vitro
O=S1(=O)CCc2cccc(Br)c21	71784130	OMRJHGUYIKZILS-UHFFFAOYSA-N	247.113	1.779	0	30	BDAC	
O=c1[nH]c(CNC2CC2)nc2ccsc12	36922881	CQAOICQJIPJJMO-UHFFFAOYSA-N	221.285	1.237	0	30	BDAC	
CC(C)(C)OC(=O)[C@H]1CCCn2cnnc21	756957718	KSOXGFJQLMIPLX-QMMMGPOBSA-N	223.276	1.497	0	30	BDAC	
COC(=O)[C@@H](O)c1occc1Br	84379044	SVQVQPVHJYSUQE-YFKPBYRVSA-N	235.033	1.249	0	30	BDAC	
O=C(O)C(F)(F)c1cccc(Cl)n1	148724160	LEQAODRBAPDZRK-UHFFFAOYSA-N	207.563	1.911	0	30	BDAC	
Cc1cc(NS(C)(=O)=O)ccc1C(=O)O	44750155	AQMPSJKNYOITCR-UHFFFAOYSA-N	229.257	1.065	0	30	BDAC	
CCOC(=O)Cc1ncc(Cl)cn1	95642163	KZMSVOIIWFCXQW-UHFFFAOYSA-N	200.625	1.236	0	30	BDAC	
COC(=O)CCCc1ccc(OC)c(N)c1	261045948	MMZGBHQHFOAXHN-UHFFFAOYSA-N	223.272	1.773	0	30	BDAC	
NC[C@H](O)c1ccc(F)cc1C(F)(F)F	133557315	FZRNYBQHLHVVQI-QMMMGPOBSA-N	223.169	1.837	0	30	BDAC	
Cc1ccccc1C(=O)[C@@H](O)CN(C)C	200568711	XJAPQQYXUWCHEV-NSHDSACASA-N	207.273	1.100	0	30	BDAC	
CN(C(=O)c1ccncc1)c1ccc(CN)cc1	34653638	FHMPCUKLGILFNN-UHFFFAOYSA-N	241.294	1.817	0	30	BDAC	in-vitro
CCN1C(=O)NC(=O)[C@@H]1c1ccccc1	39100974	RFBSWCVPTLRFIC-VIFPVBQESA-N	204.229	1.299	0	30	BDAC	
COc1cccc(C[C@H](N)CC(=O)O)c1	57938943	UIMAQFUSTFNVPJ-VIFPVBQESA-N	209.245	1.040	0	30	BDAC	
CC(C)(C)OC(=O)NCCC/C=C/CO	139420786	FQMBCABCVMWRKA-FNORWQNLSA-N	215.293	1.840	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(F)F	258182335	HGXCLAHPWUQUGT-YFKPBYRVSA-N	239.218	1.620	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H]1NC[C@H]2CCC[C@@H]21	79016828	NEKNRPZRUGJBHN-KXUCPTDWSA-N	211.305	1.716	0	30	BDAC	
Fc1ccc(Cl)cc1N1CCNCC1	37483629	FGFOOYFLDKFDAG-UHFFFAOYSA-N	214.671	1.889	0	30	BDAC	
NC1CCN(CC2(O)CCCCC2)CC1	83585866	LWYIWFDXTVZCDB-UHFFFAOYSA-N	212.337	1.105	0	30	BDAC	
Oc1nccc2ncc(Br)n12	250235615	FFUSQFPLTIMHPE-UHFFFAOYSA-N	214.022	1.197	0	30	BDAC	
CNC(=O)Oc1cccc2c1OCCO2	5700448	XOVFOHFSGVFTPY-UHFFFAOYSA-N	209.201	1.176	0	30	BDAC	
CCN1C(O)=NS(=O)(=O)c2ccccc21	15443484	XOJIAIHJDLBFMP-UHFFFAOYSA-N	226.257	1.129	0	30	BDAC	
COc1ccc2oc(C(=N)NO)cc2c1	38817406	DUCPLFYFBPGBME-UHFFFAOYSA-N	206.201	1.746	0	30	BDAC	
O=C1NC(S)=N[C@H]1c1ccc(Cl)cc1	133269748	HYKJAZABPZMBSQ-ZETCQYMHSA-N	226.688	1.797	0	30	BDAC	in-vitro
NCCSC(=O)SCCCCC(=O)O	3623187	SXMNWGXPKSNHLO-UHFFFAOYSA-N	237.346	1.786	0	30	BDAC	
N[C@H](CO)c1ccc(C(F)(F)F)nc1	95715238	KBOMPSGVSUAHRA-ZCFIWIBFSA-N	206.167	1.093	0	30	BDAC	
CCOC(=O)c1cc(N)c2ccccc2n1	95936116	YHNJLVCIOXNAFA-UHFFFAOYSA-N	216.240	1.994	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1C[C@@H]2C=C(CO)C[C@H]2C1	146397365	ADHDVDLJRWCKEL-QWRGUYRKSA-N	239.315	1.792	0	30	BDAC	
CC[C@H](C)[C@@H](NC)[C@H](CC(=O)O)OC	308466137	GHCBYDBRCQYPPL-OYNCUSHFSA-N	203.282	1.110	0	30	BDAC	
C[C@@H]1NC[C@H]2[C@@H]1[C@@H]2NC(=O)OC(C)(C)C	238394626	HOWBTXXCVBFYGD-RBXMUDONSA-N	212.293	1.117	0	30	BDAC	
CN(C(=O)C=CC(=O)O)c1ccccc1	6001583	DGYPFFQJGDMQMT-UHFFFAOYSA-N	205.213	1.290	0	30	BDAC	
COc1ccc(OC)c2c(CCN)c[nH]c12	21995025	PZKYHKZYACYPAZ-UHFFFAOYSA-N	220.272	1.686	0	30	BDAC	
O[C@]1(C(F)(F)F)CC(c2nccs2)=NN1	1040232	XUXPVYBRELLJGR-LURJTMIESA-N	237.206	1.091	0	30	BDAC	
O=C(c1c[nH]c2ncccc12)C1CCNCC1	20431141	GIYPQWAGUBIWBL-UHFFFAOYSA-N	229.283	1.745	0	30	BDAC	
NC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21	285219008	XHKRYPHYFLZZIA-AGIUHOORSA-N	246.310	1.570	0	30	BDAC	
O=C(CF)c1cc(Br)ccn1	222700190	UIFBPPQXPTVSBB-UHFFFAOYSA-N	218.025	1.996	0	30	BDAC	
CC[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C	238300911	NVFCMLLJIQPRFV-MRVPVSSYSA-N	213.277	1.975	0	30	BDAC	
CC(C)(c1nnc(C(=O)O)o1)C(F)F	698406652	PFYZSQDKQQVUJJ-UHFFFAOYSA-N	206.148	1.311	0	30	BDAC	
CC[C@](C)(NC(=O)c1ccccc1)C(N)=S	41043221	AVKVKRXLBZMKHR-LBPRGKRZSA-N	236.340	1.871	0	30	BDAC	in-vitro
FC(F)Oc1ncc(Br)cn1	203800601	UJJGOUHKQXTPRE-UHFFFAOYSA-N	224.992	1.841	0	30	BDAC	
COC(=O)[C@H](N)C(C)(C)c1ccc(F)cc1	212742798	OXOOLCDUSKQPIS-JTQLQIEISA-N	225.263	1.604	0	30	BDAC	
O=C(O)C(=O)Cc1ccc(Br)s1	19397870	GJPZYQRSPGPTFL-UHFFFAOYSA-N	249.085	1.707	0	30	BDAC	
NS(=O)(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	82863174	LFDIWWQXKBCPHA-PHDIDXHHSA-N	231.239	1.396	0	30	BDAC	
Cn1ncc(N)c1-c1ccc(F)cc1F	106890994	XMWTXJZTVCEVRJ-UHFFFAOYSA-N	209.199	1.948	0	30	BDAC	
CCO[C@H]1CC[C@@H](NC(C)=O)[C@@H](C)O1	223714609	GWYURIIWQKGODG-SZEHBUNVSA-N	201.266	1.053	0	30	BDAC	
Cc1cc(OCCN)nc2ccccc12	39105086	YRXQPPBXAQPQDE-UHFFFAOYSA-N	202.257	1.881	0	30	BDAC	
CC(C)(C)OCc1cc(C2CNC2)no1	536952381	YFOYGJSYEFQIGH-UHFFFAOYSA-N	210.277	1.677	0	30	BDAC	
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCN	216553022	ATSBZGYRUFOVCK-NXEZZACHSA-N	228.336	1.838	0	30	BDAC	
FC(F)c1nnc(I)o1	229845696	XKYKAZMBPKYXPK-UHFFFAOYSA-N	245.954	1.612	0	30	BDAC	
COCCNc1cc(Cl)nc(Cl)n1	91363904	PIUWRBXZLZJOSG-UHFFFAOYSA-N	222.075	1.842	0	30	BDAC	in-vitro
O=S1(=O)CC[C@H](c2ccccc2)CN1	204713115	OGBBONRSZJOJCB-JTQLQIEISA-N	211.286	1.093	0	30	BDAC	
CCc1nnnn1-c1ccc(N)cc1C	36335783	GDRPXVXZKHUXJX-UHFFFAOYSA-N	203.249	1.115	0	30	BDAC	
CC(C)OC(=O)c1noc(C(C)(C)C)n1	2265362178	YQOIEXNWBDPUNR-UHFFFAOYSA-N	212.249	1.932	0	30	BDAC	
COc1ccc([C@@H](CC(N)=O)CC(=O)O)cc1	137889	TWOBZOCYRADJOC-VIFPVBQESA-N	237.255	1.129	0	30	BDAC	
C[C@@H](N)CCN(C)C(=O)OC(C)(C)C	141149237	QYTUTPWBOBZEPQ-MRVPVSSYSA-N	202.298	1.591	0	30	BDAC	
Cc1ccc(SCc2cc(=O)[nH]c(=O)[nH]2)cc1	132101	MMDVBDYYAOHCBG-UHFFFAOYSA-N	248.307	1.664	0	30	BDAC	
Brc1cn(C2CCOCC2)nn1	307473941	IKIVSGOVKDSXHR-UHFFFAOYSA-N	232.081	1.392	0	30	BDAC	
O=C(O)[C@@H]1CCCCN1C(=O)CC1CC1	37437098	MJJORWCAKRMUJD-VIFPVBQESA-N	211.261	1.252	0	30	BDAC	
O=C(O)[C@@H]1Cc2c(Cl)cccc2CN1	238634217	VLDJZMKXAZDJMJ-VIFPVBQESA-N	211.648	1.439	0	30	BDAC	
O=S(=O)(O)CCCNc1ccc(O)cc1	5161924	LIUOMZABQMKBFT-UHFFFAOYSA-N	231.273	1.082	0	30	BDAC	
CCn1nc(Br)c(C(F)F)n1	2265378630	QLVXKEWECOYZSO-UHFFFAOYSA-N	226.024	1.998	0	30	BDAC	
O=C(O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccccc1F	13400514	BVVKPJIGNVJQBD-ZOFUNIGCSA-N	249.241	1.371	0	30	BDAC	
COC(=O)c1cc(N)cnc1Br	306412180	QJNOHDXVIAMFAC-UHFFFAOYSA-N	231.049	1.213	0	30	BDAC	
COC(=O)C[C@H]1CCc2ccccc2N1	38585495	HDPKJUKZQOPEOF-SNVBAGLBSA-N	205.257	1.976	0	30	BDAC	
N[C@H](CO)c1c(F)cccc1C(F)(F)F	72198439	YFEKUBJIKOECBB-SSDOTTSWSA-N	223.169	1.837	0	30	BDAC	
Cc1ncsc1C(=O)NCCCC(=O)O	19412144	HRVIZYHSXFRGJP-UHFFFAOYSA-N	228.273	1.046	0	30	BDAC	
CCC1(CC)OC[C@H](COC(=O)OC)O1	39102063	JOOBBEBMQZMVDA-QMMMGPOBSA-N	218.249	1.701	0	30	BDAC	
C[C@@H](N)CCCC(C)(C)OP(=O)(O)O	5751265	JUFGOWAGSGRBGQ-SSDOTTSWSA-N	225.225	1.392	0	30	BDAC	
CN(Cc1ccsc1)C(=O)C1CCNCC1	35719318	SNBXPEBWVBOVTF-UHFFFAOYSA-N	238.356	1.706	0	30	BDAC	in-vitro
OC[C@@H]1[C@@H]2C[C@@H](c3ccccc32)[C@H]1CO	263584222	NANBPTSGJWATPQ-YVECIDJPSA-N	204.269	1.488	0	30	BDAC	
COc1ncc([S@](=O)O)cc1Cl	675062582	ILVMRBPSYNSBKI-UHFFFAOYSA-N	207.638	1.324	0	30	BDAC	
CCCN[C@H]1Cc2cccc(O)c2C[C@@H]1O	39100444	GVXQLVGGBRCNLN-AAEUAGOBSA-N	221.300	1.220	0	30	BDAC	
CC(C)(C)OC(=O)[C@H](CN)C1CCOCC1	313209977	MXGVEVVBSGUZSO-SNVBAGLBSA-N	229.320	1.330	0	30	BDAC	
CN1C(=N)N/C(=C\c2c[nH]c3ccccc23)C1=O	34300326	INBAJENOTNXSTK-WDZFZDKYSA-N	240.266	1.505	0	30	BDAC	
CS(=O)(=O)Nc1ccc2c(c1)CCCC2=O	34438728	RROLKUGBLFXHOH-UHFFFAOYSA-N	239.296	1.577	0	30	BDAC	
CO[C@H](Cc1ccccc1)[C@@H](C)C(=O)O	96029528	BWVGRRPSIBTFCM-MWLCHTKSSA-N	208.257	1.965	0	30	BDAC	
Ic1cnc(C2CC2)nc1	95803145	XWWGGGWXUFJTHO-UHFFFAOYSA-N	246.051	1.959	0	30	BDAC	
Cc1nc([C@@H]2CCCN(C)C2)sc1C(=O)O	259238291	SHHYZRTWJCKBTQ-MRVPVSSYSA-N	240.328	1.959	0	30	BDAC	
Cc1ccnc([C@H](N)C2CCOCC2)c1	68957935	OPQZVLIQPYISQP-GFCCVEGCSA-N	206.289	1.816	0	30	BDAC	
CC(C)CCCC[C@H](O)[C@@H]1C(=O)OC[C@@H]1CO	15044369	XRKZVXDFKCVICZ-SDDRHHMPSA-N	244.331	1.345	0	30	BDAC	
CSc1nc2c(C(N)=O)cccc2[nH]1	34180879	WQTMLBRKKDOVKP-UHFFFAOYSA-N	207.258	1.384	0	30	BDAC	
COC(=O)C(C)(C(=O)OC)c1ccccc1	34542407	ARRRGKICRLNZDJ-UHFFFAOYSA-N	222.240	1.290	0	30	BDAC	
Nc1cnn(-c2cccc(Br)c2)n1	82328893	KGKLWARYCIVAPC-UHFFFAOYSA-N	239.076	1.612	0	30	BDAC	
O=C1CC[C@@]2(CCC(=O)c3ccccc32)C(=O)N1	2035715	WZAIVXXKOAWTGQ-CQSZACIVSA-N	243.262	1.338	0	30	BDAC	in-man
CC(C)(C)OC(=O)N1CC[C@@H]2CNC[C@@H]2CC1	59825414	BQMAENMWXMYUEV-PHIMTYICSA-N	240.347	1.853	0	30	BDAC	
CCOC(=O)C(=O)N1[C@@H](C)CCC[C@@H]1C	37714058	YXPMAWBCWXIFOT-IUCAKERBSA-N	213.277	1.339	0	30	BDAC	in-vitro
CN(C(=O)OC(C)(C)C)c1ncccn1	34590554	PHDSFONPKUGYNT-UHFFFAOYSA-N	209.249	1.848	0	30	BDAC	
OCc1nc(Br)cn1C(F)(F)F	2265385013	PINGFQOBIBBBBE-UHFFFAOYSA-N	244.998	1.614	0	30	BDAC	
CC(C)NC[C@H](O)COc1cccc2c1CCC2	5760479	GZDBSFAQFPWZFV-ZDUSSCGKSA-N	249.354	1.913	0	30	BDAC	
C/C(N)=C/C(=O)OCCN(C)Cc1ccccc1	38525582	UECDKJVOYBYWQP-BENRWUELSA-N	248.326	1.524	0	30	BDAC	
O=C(O)[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1ccccc1F	139027773	BVVKPJIGNVJQBD-NMLBEHRDSA-N	249.241	1.371	0	30	BDAC	
COC(=O)c1ncn(-c2ccccc2)n1	39188665	RZRJXKHAJZSLIP-UHFFFAOYSA-N	203.201	1.054	0	30	BDAC	
O=S(=O)(Nc1cccc(O)c1)C(F)(F)F	39123869	GCCWFEKPOSPEKL-UHFFFAOYSA-N	241.190	1.654	0	30	BDAC	
COc1cccc(CC2=NOC[C@@H]2C(=O)O)c1	33945705	HFADDMXWPKCRRJ-JTQLQIEISA-N	235.239	1.325	0	30	BDAC	
N[C@@H]1COc2nc(C(F)(F)F)ccc21	95761768	ZVSUVSCIQGRJLL-RXMQYKEDSA-N	204.151	1.493	0	30	BDAC	
CCOC(=O)C(C(=O)OCC)=C(C)C(F)F	309101142	NEDLTEQUFXVARN-UHFFFAOYSA-N	236.214	1.694	0	30	BDAC	
NC[C@H](CO)c1cccc(Br)c1	71534506	HVDURYQJOJOLLH-MRVPVSSYSA-N	230.105	1.484	0	30	BDAC	
O=C(O)[C@]1(Cc2ccc(O)cc2)CCCN1	215684703	HOCWELHHUBETFC-GFCCVEGCSA-N	221.256	1.142	0	30	BDAC	
Cn1cccc1C(=O)N1CCCC[C@@H]1CCO	37861279	XJDZNUISZGGPPG-LLVKDONJSA-N	236.315	1.402	0	30	BDAC	in-vitro
N[C@@H]1CCC[C@@H]1n1cc(Br)cn1	212235415	KRNGXWKHLQZTPU-SFYZADRCSA-N	230.109	1.698	0	30	BDAC	
Cc1ccc([C@@H](CN)N2CCOCC2)s1	36906716	SHUIZRBEIRLXDQ-SNVBAGLBSA-N	226.345	1.389	0	30	BDAC	in-vitro
COC(=O)CC[C@@H](N)c1ccc(OC)cc1	37483846	FNRCVPUVUWZSSY-LLVKDONJSA-N	223.272	1.648	0	30	BDAC	in-vitro
FC1(F)CCC(N2CCNCC2)CC1	306977399	OBDKCMYSVYCHDP-UHFFFAOYSA-N	204.264	1.470	0	30	BDAC	
CCOC(=O)CCC(C)(C)C(=O)OCC	32217139	QIZQGVMVRZIBBS-UHFFFAOYSA-N	216.277	1.919	0	30	BDAC	
COC(=O)[C@@H]1C(C=C(C)C)[C@H]1C(=O)OC	142436240	HNTGAUJHBZUCRH-RKDXNWHRSA-N	212.245	1.161	0	30	BDAC	
COc1cc2c(c(OC)c1)CC[C@H](C(=O)O)C2	14723299	ZYAGTPJVIITYKE-QMMMGPOBSA-N	236.267	1.893	0	30	BDAC	
CCOC(=O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)OCC	1082208732	XBFIUWWSZYLHFW-OPRDCNLKSA-N	241.287	1.559	0	30	BDAC	
C[C@@]1(C(=O)O)Cc2c(Cl)cccc2C(=O)O1	125317880	PYNSMAPICLMATA-NSHDSACASA-N	240.642	1.896	0	30	BDAC	
CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O	148977622	CUWVYAOUSMZYMJ-HTQZYQBOSA-N	233.333	1.330	0	30	BDAC	
CC(=O)Nc1ccc2nnc(C(C)C)n2c1	95942468	SALLGIILMVETGD-UHFFFAOYSA-N	218.260	1.811	0	30	BDAC	
CC(C)(CO)NC[C@@H](O)c1cccc(F)c1	37888268	KDZZWZVDEDMULO-LLVKDONJSA-N	227.279	1.220	0	30	BDAC	
CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1	584880039	LIIMUSRCFSVPAE-DTWKUNHWSA-N	244.287	1.598	0	30	BDAC	
CCCCCCOC(=O)[C@@H](C)OC(=O)[C@H](C)O	1724032	GVMIXAYWPARWDD-VHSXEESVSA-N	246.303	1.422	0	30	BDAC	
Cc1cc(N)ccc1C(=O)N1CCOCC1	44748006	HPGVNBIKWOIUIV-UHFFFAOYSA-N	220.272	1.050	0	30	BDAC	
O=[N+]([O-])c1ccc(CCO)c(Br)c1	145623518	PPRYITQQMICKHK-UHFFFAOYSA-N	246.060	1.892	0	30	BDAC	
O=C(OCc1ccccc1)N1CC=C(CO)CC1	59054769	DRWUUXVKYWMARL-UHFFFAOYSA-N	247.294	1.948	0	30	BDAC	
O=C(Nc1ccccc1)[C@@H]1C(=O)C2CCN1CC2	142451113	LSBXBFILYPDHKI-LBPRGKRZSA-N	244.294	1.288	0	30	BDAC	
OCc1ccnc(CCc2ccccc2)n1	54792932	XGFVFCNMOPSAHB-UHFFFAOYSA-N	214.268	1.754	0	30	BDAC	
Cn1ccc([C@H](N)Cc2ccc(F)cc2F)n1	87424136	QHHLOSFPODFEBP-LLVKDONJSA-N	237.253	1.941	0	30	BDAC	
Cc1ccc2c(c1C)Nc1c(c(=O)c1=O)N2	100206513	ZDOLEKYHYLKQAR-UHFFFAOYSA-N	214.224	1.700	0	30	BDAC	
Cc1cnn(-c2ccc(C(=O)O)cn2)c1	37677041	AMJGTQCUASNRPE-UHFFFAOYSA-N	203.201	1.274	0	30	BDAC	
COC[C@]1(CN)CCCN1C(=O)OC(C)(C)C	238853226	IRXUXKIPLKNYOK-GFCCVEGCSA-N	244.335	1.361	0	30	BDAC	
OCc1cnc(-c2ccccc2F)nc1	35323411	ZQMQIGBVQTUIDZ-UHFFFAOYSA-N	204.204	1.775	0	30	BDAC	
CC[S@@](=O)C(=O)N1CCCCCC1	5955610	AQZLABPGWGSAER-ZDUSSCGKSA-N	203.307	1.751	0	30	BDAC	
CN1CN(C)c2nc3ccccc3nc21	44710030	DSJMURRUULHVIH-UHFFFAOYSA-N	200.245	1.473	0	30	BDAC	
CCOCC(=O)CNC(=O)OC(C)(C)C	404498177	IKSSOZLBFNUAHI-UHFFFAOYSA-N	217.265	1.117	0	30	BDAC	
CC(C)(C)[C@H](N)C(=O)NCc1ccccc1	34544274	VCKOJWNPRZBZKV-LLVKDONJSA-N	220.316	1.676	0	30	BDAC	
Cn1cc([C@H]2CCCN2)c(C(F)(F)F)n1	83303093	NZKNRWRTXHTSEP-SSDOTTSWSA-N	219.210	1.863	0	30	BDAC	
Cc1nc(CC2(CO)CCNCC2)cs1	85036875	FXILBRYAPNAHCH-UHFFFAOYSA-N	226.345	1.356	0	30	BDAC	
N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1	64539689	ZUCBDKDJRQVFNO-QWHCGFSZSA-N	217.316	1.046	0	30	BDAC	
COC(=O)c1cccc(CC(C)(C)N)c1	95761524	OXPMIJUPVHVHHE-UHFFFAOYSA-N	207.273	1.753	0	30	BDAC	in-vitro
C[C@@H](O)c1ccnc(Br)c1	114108900	DBNKYNVEWZKOJX-RXMQYKEDSA-N	202.051	1.897	0	30	BDAC	
CCCCN1CNN(CCCC)CN1	32136472	IWJSBEAMZYJNPM-UHFFFAOYSA-N	200.330	1.128	0	30	BDAC	
CC(C)C[C@H](NC(=S)S)C(=O)O	33872670	JOOZOKTXUNZVCP-YFKPBYRVSA-N	207.320	1.290	0	30	BDAC	
Cn1ccnc1C(=O)CNC(=O)OC(C)(C)C	147508059	WAOJOLYKZNBOTL-UHFFFAOYSA-N	239.275	1.128	0	30	BDAC	
COC(=O)c1ccc(C[C@@]2(C)CCC(=O)N2)cc1	407985835	NCTPQCXYADGGRW-CQSZACIVSA-N	247.294	1.684	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@]1(O)CCSC1	124545611	TZWSMNORVFRPIT-SNVBAGLBSA-N	233.333	1.379	0	30	BDAC	
N[C@@H]1CCCN(c2ccc(F)c(F)c2)C1=O	70061679	HFTDUJSOBILYOC-SNVBAGLBSA-N	226.226	1.419	0	30	BDAC	
NCCN1C(=O)CCCc2ccccc21	36949785	QHOOEUOLFAWEIE-UHFFFAOYSA-N	204.273	1.315	0	30	BDAC	
C[C@@H](CC(=O)O)n1cc(Br)cn1	26547409	APFDEDHWLPYNPP-YFKPBYRVSA-N	233.065	1.681	0	30	BDAC	
NC(=O)C1(c2ccncc2)CCCCC1	139433413	VERJHHXOHWWPCG-UHFFFAOYSA-N	204.273	1.769	0	30	BDAC	in-vitro
CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C	73654550	NJBGCEIHJGURNN-NXEZZACHSA-N	228.336	1.851	0	30	BDAC	
O=C1c2ccccc2C(=O)N1CCc1cnc[nH]1	39625910	JBFMIBDZOYESNV-UHFFFAOYSA-N	241.250	1.248	0	30	BDAC	
COC(=O)c1cncc(-c2ccc(C(=O)O)o2)c1	200032287	ITHAARFXIXIFLB-UHFFFAOYSA-N	247.206	1.826	0	30	BDAC	
CC(=O)c1cccc(NC(=O)C2=COCCO2)c1	6377025	PZSGLEPUXYIFOJ-UHFFFAOYSA-N	247.250	1.716	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H]2C[C@H]2C1	106853585	YLHSUKDRBRKUDQ-DJLDLDEBSA-N	213.277	1.234	0	30	BDAC	
CC(C)(C)OC(=O)N1[C@@H](O)CC[C@@]1(C)C(=O)O	238790264	FVIXLLCGWUQYDE-CPCISQLKSA-N	245.275	1.179	0	30	BDAC	
O[C@H]1CCC23CC[C@H](O)CC2(COC3)C1	39097332	IKIUSBRRDAMWCI-JYBOHDQNSA-N	212.289	1.079	0	30	BDAC	
C[C@@H](Cc1cnc2ccccc2n1)C(=O)O	86717635	CJBLYZVOLFSDLQ-QMMMGPOBSA-N	216.240	1.893	0	30	BDAC	
COC(=O)c1cc2c(cc1F)NCCC2	713387015	YDTHYONBNZXIHQ-UHFFFAOYSA-N	209.220	1.970	0	30	BDAC	
COc1cc(Br)cc(C=O)n1	95642356	ISOMXPAKDNLXDA-UHFFFAOYSA-N	216.034	1.665	0	30	BDAC	
NNc1cc(Cl)nc(C2CCOCC2)n1	1554770930	POJLYLQNCWLFFA-UHFFFAOYSA-N	228.683	1.310	0	30	BDAC	
COC(=O)CCCSCCCC(=O)OC	33986179	UWLNIOIUTIBVPI-UHFFFAOYSA-N	234.317	1.626	0	30	BDAC	
CC[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)O	250244344	NZFXXUSVMTWINN-AATLWQCWSA-N	225.288	1.402	0	30	BDAC	
Cc1ccc(N2C=C([N+](=O)[O-])N(C)[C@@H]2C=N)cc1	263583862	CTRCHRFICPJUHV-NSHDSACASA-N	246.270	1.798	0	30	BDAC	
CNC[C@@H]1OCCN(C)[C@@H]1c1ccccc1	69797538	HSRFSSLZCICRJK-QWHCGFSZSA-N	220.316	1.278	0	30	BDAC	
CO[C@@H]1CCN2[C@@H]3C=CC4=CC(=O)O[C@@]4(C3)[C@H]2C1	103591916	YKLWRYOORWTCQQ-HKUMRIAESA-N	247.294	1.030	0	30	BDAC	in-vitro
COC(=O)[C@@H]1c2ccccc2C=C[C@@H]1N	39085251	PQBKUZIUANQAMU-WDEREUQCSA-N	203.241	1.297	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2C[C@]2(N)CC1	1554770429	RLKQLFDFQMMVLZ-JOYOIKCWSA-N	226.320	1.735	0	30	BDAC	
COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1	90395208	JVRFUAIQPLFAGT-SNVBAGLBSA-N	244.335	1.232	0	30	BDAC	
C[C@@H]1C[C@H](C(=O)O)[C@H](C(=O)O)C[C@H]1C	8536311	NSVFQYRNBOFQMT-XUTVFYLZSA-N	200.234	1.454	0	30	BDAC	
CCOC(=O)c1cc(C#N)cc(C(=O)OCC)n1	34068807	JNEPFGIUUKDWOH-UHFFFAOYSA-N	248.238	1.307	0	30	BDAC	
CCC[C@H](N)C(=O)Nc1onc(C)c1C	39109115	MGURBMGWVHDBRP-QMMMGPOBSA-N	211.265	1.357	0	30	BDAC	
CCNCCn1ccc(-c2ccc(F)cn2)n1	143657687	QYUNWHLLGUUQCL-UHFFFAOYSA-N	234.278	1.694	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)O	306749236	DBSNKSRKAWXFCQ-YUMQZZPRSA-N	245.275	1.001	0	30	BDAC	
CN(C)CCc1c[nH]c2ccc(C(=O)O)cc12	34146724	MABBNMFRXNHQIA-UHFFFAOYSA-N	232.283	1.970	0	30	BDAC	
O=C1CNCCN1c1cccc(C(F)(F)F)c1	71558715	YNFOSHGGKRNSOA-UHFFFAOYSA-N	244.216	1.642	0	30	BDAC	
Cc1nn(CC(F)(F)F)c(Cl)c1CO	307368490	PWLHLMDEYFZYMV-UHFFFAOYSA-N	228.601	1.900	0	30	BDAC	
O=C1CC(=O)N(c2ccc(F)cc2Cl)C1	86475495	HMBYHRLXCARQTB-UHFFFAOYSA-N	227.622	1.785	0	30	BDAC	
COC(=O)c1cc(Cl)nc(Cl)c1O	95093354	QQIPJTCWJOTXCU-UHFFFAOYSA-N	222.027	1.881	0	30	BDAC	
NCC[C@H](C(=O)O)c1ccc(Cl)cc1	1844649	YSUNOHPTERXNIV-VIFPVBQESA-N	213.664	1.857	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(=O)C2CC1C2	2265360042	VKJCMYVMVHERJQ-UHFFFAOYSA-N	211.261	1.585	0	30	BDAC	
CCOC1=CC(=O)N[C@H](c2ccco2)C1	39099501	HQTZYXFCQHAEKI-VIFPVBQESA-N	207.229	1.761	0	30	BDAC	
COCCCOc1ccnc(C(=O)O)c1	37747052	MRHKKGNTLZLCBA-UHFFFAOYSA-N	211.217	1.195	0	30	BDAC	
COC(COc1ccc(-n2ccnc2)cc1)OC	15042035	OKYWTEIGXFRPQB-UHFFFAOYSA-N	248.282	1.870	0	30	BDAC	
COc1ccc(Cc2nnc(N)o2)cc1OC	105021	ACYYDTZBFFXLTL-UHFFFAOYSA-N	235.243	1.260	0	30	BDAC	
O=C(O)CCc1nnc(Br)s1	214198871	XUWMWOHORBXPNW-UHFFFAOYSA-N	237.078	1.318	0	30	BDAC	
OC[C@H]1CC(F)(F)CN1Cc1ccccc1	368419981	PXQLZEMKQFOLDT-LLVKDONJSA-N	227.254	1.889	0	30	BDAC	
NCc1ncc(-c2c(F)cccc2F)[nH]1	36870915	MUSRHRVRVWLOCX-UHFFFAOYSA-N	209.199	1.814	0	30	BDAC	
NCc1nc(-c2cc(F)ccc2F)c[nH]1	36870964	QPVXIFZCBYZFOR-UHFFFAOYSA-N	209.199	1.814	0	30	BDAC	
NCc1ccc(F)nc1Br	675050882	XJYUNUFRGLRZQC-UHFFFAOYSA-N	205.030	1.442	0	30	BDAC	
COC(=O)c1cc2c(s1)CCO[C@@H]2CN	2265385496	BDROLOVPTLXSDQ-SSDOTTSWSA-N	227.285	1.107	0	30	BDAC	
NCc1nc(-c2ccc(Cl)cc2)n[nH]1	61843822	FHAXLWKUNIXOFY-UHFFFAOYSA-N	208.652	1.584	0	30	BDAC	
COC[C@@H]1CCN(c2ccc(C(=O)O)cc2)C1	81067550	ZYUJWJNYCTYSDH-SNVBAGLBSA-N	235.283	1.858	0	30	BDAC	
Nc1nc(-c2ccncc2Cl)ns1	307425074	FBOMGLLPOGPMDR-UHFFFAOYSA-N	212.665	1.836	0	30	BDAC	
NC(=O)c1ncccc1CCc1ccccc1	33608412	PDHDODYVLUEHER-UHFFFAOYSA-N	226.279	1.966	0	30	BDAC	
O=C(O)Cc1c[nH]c2cnc(Cl)cc12	82952677	KYLYOKGVCVSJRV-UHFFFAOYSA-N	210.620	1.843	0	30	BDAC	
FC(F)(F)c1ccc2c(n1)OCCN2	95642117	FPOGABIVGIDRGD-UHFFFAOYSA-N	204.151	1.905	0	30	BDAC	
CCSCCSCCNC(N)=O	33637582	IKZUKWVJEAFQBN-UHFFFAOYSA-N	208.352	1.141	0	30	BDAC	
COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	102220919	DVHVCTMMNDTTMV-AAEUAGOBSA-N	249.310	1.449	0	30	BDAC	
NS(=O)(=O)c1cccc2c(Cl)nccc12	145285009	ACEJDYURLYZBIC-UHFFFAOYSA-N	242.687	1.536	0	30	BDAC	
COC(=O)C12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2N	146230170	BMCTUOOXHFSRDB-LVTSGBCKSA-N	209.289	1.313	0	30	BDAC	
Brc1cncc(C2OCCO2)c1	95642630	ZJHMSWWIAWGHIV-UHFFFAOYSA-N	230.061	1.890	0	30	BDAC	
C[C@H]1C[C@@H](C)C[C@](O)(C(F)(F)CN)C1	675073527	KTAOPYAALRAKPG-AYMMMOKOSA-N	207.264	1.768	0	30	BDAC	
COc1ccc([C@@H]2[C@@H](CO)CC(=O)N2C)cc1	68575848	JGWMURNQDNQMFL-ZWNOBZJWSA-N	235.283	1.207	0	30	BDAC	in-vitro
CCOC(=O)N1CC[C@@](O)(c2ccccc2)C1	584621097	SMPDXERIENIPNQ-ZDUSSCGKSA-N	235.283	1.736	0	30	BDAC	
Cc1ccc(N([C@@H](C)CO)[C@H](C)CO)cc1	5160579	NUAIBPOSHMRLSK-TXEJJXNPSA-N	223.316	1.563	0	30	BDAC	
O=C(OC[C@@H]1COc2ccccc2O1)C1CC1	39135187	CIADKEGYTLVZKG-JTQLQIEISA-N	234.251	1.780	0	30	BDAC	
OCc1cn(-c2ccc(F)c(Cl)c2)nn1	52221354	BNYDDEHPEVTDRB-UHFFFAOYSA-N	227.626	1.552	0	30	BDAC	in-vitro
O=C(O)[C@H]1CCn2c(cnc2Br)C1	211313553	JRADPOJQANPXFM-YFKPBYRVSA-N	245.076	1.293	0	30	BDAC	
CC(=O)[C@@H]1C(=O)c2ccccc2N(C(C)C)C1=O	957698384	BLLXZEYKEUBXSV-GFCCVEGCSA-N	245.278	1.830	0	30	BDAC	
COc1ccc2sc(C)[n+](CCCO)c2c1	6068570	HQLTXSTYNQHMLT-UHFFFAOYSA-N	238.332	1.888	0	30	BDAC	
CNc1nccn2ncc(Br)c12	2265384802	DQRNRZXSYUMKPM-UHFFFAOYSA-N	227.065	1.534	0	30	BDAC	
COC(=O)NC(C)(C)C(C)(C)C(=O)O	3120038	QTEBFSANEDARCQ-UHFFFAOYSA-N	203.238	1.232	0	30	BDAC	
O=C1C=CC[C@@H]2[C@@H]3CCCN4CCC[C@H](CN12)[C@@H]34	33833761	AAGFPTSOPGCENQ-COMQUAJESA-N	246.354	1.648	0	30	BDAC	biogenic
c1cc(-c2cc3n(n2)CCCNC3)ccn1	65225660	KPOUOECJWRGZNA-UHFFFAOYSA-N	214.272	1.438	0	30	BDAC	
C[C@H]1CCN2C(=O)c3ccccc3[C@@H]2N1	39105113	UNHBIGQAVITGJE-GZMMTYOYSA-N	202.257	1.523	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H](F)C(=O)[C@@H](F)C1	222017974	MWKMVSDVUBMEKD-BQBZGAKWSA-N	235.230	1.482	0	30	BDAC	
COC(=O)C1=C(N)CCc2ccccc21	31719763	QBQXZABKRSBMDZ-UHFFFAOYSA-N	203.241	1.476	0	30	BDAC	
NNc1nc(Cl)c(Cl)nc1Cl	143391060	BIIAWAMZGVBRAF-UHFFFAOYSA-N	213.455	1.722	0	30	BDAC	
CCOC(=O)c1ccc2c(c1)C[C@@H](NC)C2	261313162	ZAVDXGPXRWGBIT-LBPRGKRZSA-N	219.284	1.550	0	30	BDAC	
CC(C)(C)OC(=O)N1CC=C[C@]1(C)CO	238147547	NJICUPQZQXLMDJ-LLVKDONJSA-N	213.277	1.544	0	30	BDAC	
C=CC(=O)Nc1ccc(N2N=C(C)CC2=O)cc1	33606830	MTPRPDLAMYHMGE-UHFFFAOYSA-N	243.266	1.924	0	30	BDAC	
N[C@@H]1[C@@H]2CC[C@H]1N(Cc1ccccc1)C2	71373376	RLVKNSFGRHNZJI-JHJVBQTASA-N	202.301	1.608	0	30	BDAC	
Cn1cc(Cl)c([C@H]2NNC(=S)S2)n1	4394809	DDJCOPPVEFHYLM-YFKPBYRVSA-N	234.737	1.198	0	30	BDAC	
C[C@H]1[C@@H](C)N(N=O)[C@@H](C)[C@@H](C)N1N=O	27878737	OHOJWCVESZTLQZ-SOSBWXJGSA-N	200.242	1.521	0	30	BDAC	
N[C@H](COCc1ccccc1)CC(=O)O	26895829	JIHXWNHLDAKDPY-JTQLQIEISA-N	209.245	1.005	0	30	BDAC	
COC[C@@H](N)c1cc(F)c(F)c(F)c1	84191560	XWXXMFALIKKIKK-MRVPVSSYSA-N	205.179	1.750	0	30	BDAC	in-vitro
NC[C@@H](Cc1cc(F)cc(F)c1)C(=O)O	76137324	QKDRBLLMAPIOMD-SSDOTTSWSA-N	215.199	1.167	0	30	BDAC	
Nc1cc2n(n1)CCN(Cc1ccccc1)C2	307708627	JNCRDCCWEWLFSB-UHFFFAOYSA-N	228.299	1.481	0	30	BDAC	
O=C(O)[C@@H]1CCCC2(CCOCC2)O1	306167671	DZABLDNOGABVGU-QMMMGPOBSA-N	200.234	1.189	0	30	BDAC	
COC(=O)[C@H]1[C@H](C=C(C)C)[C@H]1C(=O)OC	379695844	HNTGAUJHBZUCRH-PSVAKVPMSA-N	212.245	1.161	0	30	BDAC	
NN1CCN(c2ccccc2Cl)CC1	95081311	UFFNOFNDCGMTIZ-UHFFFAOYSA-N	211.696	1.336	0	30	BDAC	
CN(N=O)[C@@H](CCC(=O)O)c1cccnc1	5140730	NZSNJPDBPMIBSP-VIFPVBQESA-N	223.232	1.601	0	30	BDAC	in-vitro
CN1CCC(Oc2cc(N)ccn2)CC1	43569643	QZAFLGODJMSZDR-UHFFFAOYSA-N	207.277	1.137	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3N	306707322	LWPWUINBEYWRGR-HHKYUTTNSA-N	238.331	1.589	0	30	BDAC	
O=C(O)[C@H]1Cc2cc(F)cc(F)c2O1	75882590	ZHANRMXBHPHPJH-SSDOTTSWSA-N	200.140	1.353	0	30	BDAC	
CCCCCCN1C[C@@H](C(=O)OC)CC1=O	33866047	GJHNTLQYACBIND-JTQLQIEISA-N	227.304	1.588	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H](CCO)[C@H](F)C1	222171980	RTTFSGDFPHCZMD-VHSXEESVSA-N	247.310	1.964	0	30	BDAC	
Cc1nc(Br)cnc1C=O	95774800	DHPKMNWJPCRSJK-UHFFFAOYSA-N	201.023	1.360	0	30	BDAC	
OCCN(CCO)c1ccc2c(c1)N=N2	604934815	QUHNMTPXJKLMHW-UHFFFAOYSA-N	207.233	1.206	0	30	BDAC	
CSc1ccc(N2C(=O)C=CC2=O)cc1	97823	IUJIKENGDDWJCM-UHFFFAOYSA-N	219.265	1.838	0	30	BDAC	
O=Cc1cc(Br)ncc1O	95761624	AECQZMXEHNJXAW-UHFFFAOYSA-N	202.007	1.362	0	30	BDAC	
CC(=O)[C@](C)(O)SCc1ccco1	5167223	DRIFNOMSLSRDHQ-SECBINFHSA-N	200.259	1.810	0	30	BDAC	
Cc1ccc(S(=O)(=O)O)c(C(C)(C)O)c1	39111256	FMMWFIMLILFMRH-UHFFFAOYSA-N	230.285	1.469	0	30	BDAC	
O=C(O)CCc1ccncc1Br	83326689	LGXAUMZMSSAXOC-UHFFFAOYSA-N	230.061	1.861	0	30	BDAC	
CNC[C@@H]1C[C@H](F)CN1Cc1csc(C)n1	238854246	NBILSUKLQPYMAP-ONGXEEELSA-N	243.351	1.583	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@]2(CN)C[C@@H]12	83323414	GINXHIFJXMDZAH-SKDRFNHKSA-N	226.320	1.735	0	30	BDAC	
CC(C)(C)[C@]12CNCC[C@@H]1CN2C(=O)O	114318856	GRDKYARCMDIHSO-KCJUWKMLSA-N	212.293	1.374	0	30	BDAC	
CC(=O)N1CCC(=O)c2cc(F)ccc21	62546646	BXXOTJGEOPOODI-UHFFFAOYSA-N	207.204	1.765	0	30	BDAC	
O=C(O)COc1ccc(Br)nc1	821535728	RMPOFSPVGCPJLA-UHFFFAOYSA-N	232.033	1.308	0	30	BDAC	
COC(=O)[C@@]1(C(F)(F)F)CCC(=O)C1	199470120	FXXIBLWQCRPSQV-SSDOTTSWSA-N	210.151	1.461	0	30	BDAC	
COc1csc(-c2cc(N)n(C)n2)c1	88028632	BFIQIVJASLVJQE-UHFFFAOYSA-N	209.274	1.739	0	30	BDAC	in-vitro
COC(=O)c1c(F)cc(N)cc1Br	221103342	QJLHEFATOSAMKV-UHFFFAOYSA-N	248.051	1.957	0	30	BDAC	
CCO[C@@H]1OC(=O)C[C@]1(C)C(F)(F)F	39099914	YKIUADXTMGOOEN-RQJHMYQMSA-N	212.167	1.865	0	30	BDAC	
COC(=O)c1cc2cc(F)c(O)cc2[nH]1	149130573	AQNPHJZHDHFRKM-UHFFFAOYSA-N	209.176	1.799	0	30	BDAC	
CC(C)(C)N(C(=O)O)[C@@H]1[C@H]2C[C@@H](O)C[C@H]21	514277633	LVQXTLSQOMVETJ-WKALFLHCSA-N	213.277	1.534	0	30	BDAC	
CC(C)[C@H](CO)N1Cc2ncccc2C1=O	65384428	MUHXGYZZXNDURK-NSHDSACASA-N	220.272	1.054	0	30	BDAC	
CCc1ncnc(N)c1Br	85460432	QKXISDUSLPVLLP-UHFFFAOYSA-N	202.055	1.384	0	30	BDAC	
CCOc1cccc2nc(N)nc(N)c12	1023827	LRWVBCREDYTZPL-UHFFFAOYSA-N	204.233	1.193	0	30	BDAC	
C[C@@H]1C[C@H](CN)CN1C(=O)OC(C)(C)C	107248996	OMYUWTDLNUMEGX-RKDXNWHRSA-N	214.309	1.591	0	30	BDAC	
O=S1(=O)CCc2cc(Br)ccc21	116943156	MNWPIGZDBXJGCE-UHFFFAOYSA-N	247.113	1.779	0	30	BDAC	
CC(C)(C)O[C@@H]1C[C@H](N)C12CCOCC2	675050672	HFWPJTIRIQFVTJ-VHSXEESVSA-N	213.321	1.698	0	30	BDAC	
NN1CCc2cc(Br)ccc21	196889282	RZAKZBSQPHXBDB-UHFFFAOYSA-N	213.078	1.685	0	30	BDAC	
CC(=O)O[C@@H]1CCCN(Cc2ccccc2)C1=O	34547029	GCFZDQQHPLSBPY-CYBMUJFWSA-N	247.294	1.741	0	30	BDAC	
O=c1[nH][nH]cc2c3cc(F)ccc3nc1-2	137800909	DPCOKVJBMHMYIC-UHFFFAOYSA-N	203.176	1.495	0	30	BDAC	in-vitro
C[C@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1N	107259376	SRPCZFCRBYSYDY-AAEUAGOBSA-N	248.326	1.992	0	30	BDAC	
CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCNC1	38813215	MNIHYAVDKLMINM-SECBINFHSA-N	228.336	1.899	0	30	BDAC	
CC(C)c1ccccc1C[C@H](N)C(=O)O	44285592	VHNJMPJZDTZETC-NSHDSACASA-N	207.273	1.764	0	30	BDAC	
Brc1ccnc2c1CCNC2	95642697	IKOUMNQKEQEVPP-UHFFFAOYSA-N	213.078	1.490	0	30	BDAC	
Brc1ccnc(OC2COC2)c1	238034750	KNJVQWDCBNMKIL-UHFFFAOYSA-N	230.061	1.622	0	30	BDAC	
Cc1cccc(C(=O)NCC(=O)O)c1C	2529176	MTDMPTIWIYCVAL-UHFFFAOYSA-N	207.229	1.118	0	30	BDAC	
COc1ccc2c(cc(CO)n2C)c1N	144920051	HMYMRPWLGVWRCB-UHFFFAOYSA-N	206.245	1.261	0	30	BDAC	
NC(=S)c1cn(C2CCCC2)nc1N	82163123	IYCFXKPCKLNNQY-UHFFFAOYSA-N	210.306	1.215	0	30	BDAC	in-vitro
CCN1C(=O)[C@H](C(C)=O)C(=O)c2ccccc21	957698439	HEQXZNDTPBXCEB-LLVKDONJSA-N	231.251	1.441	0	30	BDAC	
COc1ccc([C@H](C)CC(N)=O)cc1OC	1855142	QPKFTACDOTUDHL-MRVPVSSYSA-N	223.272	1.683	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(CSCCO)C1	536948715	NSNLJIYJIIFTHC-UHFFFAOYSA-N	247.360	1.579	0	30	BDAC	
O[C@H]1c2c(ccc3ncccc23)C=C[C@H]1O	34120009	NCMNKLTXFXNWHC-DGCLKSJQSA-N	213.236	1.656	0	30	BDAC	
c1cnc2nc(C3CCNCC3)[nH]c2c1	27751698	VJKGFMGCWPESKG-UHFFFAOYSA-N	202.261	1.425	0	30	BDAC	
COC(=O)[C@@H](N)CCOCc1ccccc1	44327918	VFZYHEFAZGQLQV-NSHDSACASA-N	223.272	1.094	0	30	BDAC	
O=C1CCCN1c1cncc(Br)c1	95775814	IOOQKNSFQJZRNN-UHFFFAOYSA-N	241.088	1.971	0	30	BDAC	
CC(C)C[C@H]1C[C@@](C)(C(=O)O)OC1=O	238151518	JXXZNVBUQDPAPM-XVKPBYJWSA-N	200.234	1.439	0	30	BDAC	
OC1(c2ccncc2Br)COC1	204878329	QUGCEMSBCBPMCH-UHFFFAOYSA-N	230.061	1.062	0	30	BDAC	
N[C@@H](COCc1ccccc1)CC(=O)O	26895826	JIHXWNHLDAKDPY-SNVBAGLBSA-N	209.245	1.005	0	30	BDAC	
COc1nc(Cl)cc(O)c1C(C)=O	1857786432	HCGBEFSUBAVHKE-UHFFFAOYSA-N	201.609	1.652	0	30	BDAC	
C[C@H](NC(=O)OC(C)(C)C)C(N)=S	33841044	WNBYIVHXPVFKHC-YFKPBYRVSA-N	204.295	1.186	0	30	BDAC	in-vitro
C[C@H]1CC(=O)[C@@](C)(CCC(=O)O)CN1C	39109447	AJUHVBGVGVYQDT-KWQFWETISA-N	213.277	1.151	0	30	BDAC	
COP(=O)(OC)[C@]1(O)C[C@H]2CC[C@H]1C2	263589907	TWCSYTLFNUWDHQ-XHNCKOQMSA-N	220.205	1.981	0	30	BDAC	
FC(F)(F)c1nc2c(s1)CNCC2	74177713	XGUALGYMAJUNLG-UHFFFAOYSA-N	208.208	1.808	0	30	BDAC	
CC(C)(C)Oc1cccc([S@](=O)O)n1	950697793	LLNKJXBAKJTHKM-UHFFFAOYSA-N	215.274	1.840	0	30	BDAC	
O=C(CCCO)NC1Cc2ccccc2C1	4324798	LMTNHPKUXTWSKK-UHFFFAOYSA-N	219.284	1.043	0	30	BDAC	
Cn1ccc([C@@H](N)Cc2ccc(F)cc2F)n1	87424139	QHHLOSFPODFEBP-NSHDSACASA-N	237.253	1.941	0	30	BDAC	
Cc1nc(-c2ncccn2)ncc1[C@@H](C)O	54963392	SPMLDYIMODAIBA-MRVPVSSYSA-N	216.244	1.295	0	30	BDAC	
COc1nc(Br)c(C)nc1N	82368787	VFOLTFBZPVFORQ-UHFFFAOYSA-N	218.054	1.138	0	30	BDAC	
CC(C)(C)OC(=O)N1CC2(C1)NCCCS2	87603570	YZHUUKRYIFOPFJ-UHFFFAOYSA-N	244.360	1.660	0	30	BDAC	
CSc1ccc([C@@]2(N)CCOC2)cc1	521399121	FVMNADLIXXWLNU-LLVKDONJSA-N	209.314	1.983	0	30	BDAC	
COc1ccc([C@H]2[C@@H](CO)CCC(=O)N2C)cc1	68575670	MKOORXKZEHGBSM-RISCZKNCSA-N	249.310	1.597	0	30	BDAC	in-vitro
COC(=O)c1cc(Br)ns1	261256057	IPLZMXJXFDMUEO-UHFFFAOYSA-N	222.063	1.692	0	30	BDAC	
Cc1nc(N)sc1C(=O)C(F)(F)F	1535645522	BAAXCOUYFDTBRJ-UHFFFAOYSA-N	210.180	1.779	0	30	BDAC	
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)=O	39275102	QKEQESWFLCEUCV-QMMMGPOBSA-N	245.275	1.032	0	30	BDAC	in-vivo
CC(=O)c1ccc(N2CCCNCC2)cc1	36825982	URJXKIQCZAUWQC-UHFFFAOYSA-N	218.300	1.689	0	30	BDAC	
CCCCNCCNC(=O)OC(C)(C)C	39953853	BVDAGCKOGBYXIB-UHFFFAOYSA-N	216.325	1.901	0	30	BDAC	
NC[C@H]1CCN(c2ccc(F)cc2F)C1	11891749	NRJLPUYDGBNNEN-MRVPVSSYSA-N	212.243	1.750	0	30	BDAC	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C(O)O	4826659	BWZMJRSMHQDFIT-IVZWLZJFSA-N	230.304	1.301	0	30	BDAC	
COc1ccnc(-c2ccc(C=O)cc2)n1	35635894	TYWXCVUSLLOSAN-UHFFFAOYSA-N	214.224	1.965	0	30	BDAC	
CC[C@H]1CN(C(=O)OC(C)(C)C)CC1=O	202098809	UHNGPZRFJMPEEQ-QMMMGPOBSA-N	213.277	1.832	0	30	BDAC	
N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F	521398755	AAMBEWXHCMJKOP-VXNVDRBHSA-N	217.190	1.880	0	30	BDAC	
O=C(NC[C@@H](O)c1ccccc1)c1ccco1	152713	UIBMEPSWHYDQJT-LLVKDONJSA-N	231.251	1.743	0	30	BDAC	
Cc1ccc(N2CCNCC2=O)c(C)c1	70918446	VENIYOLLLBOHMD-UHFFFAOYSA-N	204.273	1.240	0	30	BDAC	
CCCCC(CC)(COC(N)=O)COC(N)=O	2003992	OAUQNCDVPLLEAH-UHFFFAOYSA-N	246.307	1.764	0	30	BDAC	
CCOC(=O)c1ccc2c(c1)NCC(=O)N2	84951863	JMGRXARLHIEWTP-UHFFFAOYSA-N	220.228	1.227	0	30	BDAC	
O=C(Nc1cn2cc(O)ccc2n1)C1CC1	96029073	GKEYNIOZWFXCGT-UHFFFAOYSA-N	217.228	1.388	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2CC(CO)=C[C@H]2C1	146397540	ADHDVDLJRWCKEL-WDEREUQCSA-N	239.315	1.792	0	30	BDAC	
CCOC(=O)c1nc(N)c2ccccc2n1	75627401	ITTNRKSYHIROFH-UHFFFAOYSA-N	217.228	1.389	0	30	BDAC	
CN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	261508718	WEHOHRVKNXQJLJ-CYBMUJFWSA-N	240.347	1.949	0	30	BDAC	
CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)O	616657624	FRDCKDXZSRACTN-QMMMGPOBSA-N	245.275	1.097	0	30	BDAC	
O=S1(=O)C=C[C@@H](Nc2ccccc2O)C1	5338265	YGKSWEIBUNVXTM-MRVPVSSYSA-N	225.269	1.115	0	30	BDAC	
COc1cc(C(=O)O)cc(OC)c1C(C)=O	33604993	YDAUNLHADFMIBZ-UHFFFAOYSA-N	224.212	1.605	0	30	BDAC	
CCOC(=O)c1ccc(C(=O)OCC)c(N)n1	35976361	UZOCNTSXMCRAKG-UHFFFAOYSA-N	238.243	1.017	0	30	BDAC	
Cn1cc(-c2nc(C(F)(F)F)c[nH]2)cn1	97054229	ATDAAUBHZRNZNZ-UHFFFAOYSA-N	216.166	1.829	0	30	BDAC	in-vitro
CC(=O)OCCc1c[nH]c2ccc(O)cc12	5161428	OREWHOOHFLYPLU-UHFFFAOYSA-N	219.240	1.979	0	30	BDAC	
Cc1cc(N2CCC[C@@H](O)C2)ccc1N	35612268	MWZPGLQPCFMWEC-LLVKDONJSA-N	206.289	1.538	0	30	BDAC	
CCOC(=O)[C@H](N)Cc1cnc2ccccc2n1	95921914	LPWTXEMYEMSHGL-SNVBAGLBSA-N	245.282	1.063	0	30	BDAC	
NC1(c2ncc(Br)cn2)CCC1	306563646	VUHAESANUFLXLM-UHFFFAOYSA-N	228.093	1.577	0	30	BDAC	
COCCOc1ccc2c(c1)CCC2=O	60293294	CNIXRFXICOYMMC-UHFFFAOYSA-N	206.241	1.841	0	30	BDAC	
Brc1ccn(C2CCOCC2)n1	216547166	NLOYYLLCFSUQPE-UHFFFAOYSA-N	231.093	1.997	0	30	BDAC	
CC1=N[C@@H]2C=CC(Br)=CN2C1	95635442	OIJXUFHQRJOAAO-QMMMGPOBSA-N	213.078	1.895	0	30	BDAC	
COC(=O)C[C@@]1(CN)CCOc2ccccc21	97430578	YIZGHGRZBKTYPV-CYBMUJFWSA-N	235.283	1.229	0	30	BDAC	
O=C(O)Cc1ccc(-c2cccnn2)cc1	722941402	SDSQFFJVXKHJAQ-UHFFFAOYSA-N	214.224	1.771	0	30	BDAC	
COC1(C)CCN(c2ccc(=N)[nH]c2)CC1	380536893	GCELDJDWMFJXRQ-UHFFFAOYSA-N	221.304	1.499	0	30	BDAC	
Cc1cc(N2C(=O)CC(C)CC2=O)no1	2154566	WDCLKWRBYMVDOY-UHFFFAOYSA-N	208.217	1.273	0	30	BDAC	
CCOC(CS(=O)(=O)C(C)(C)C)OCC	2510123	RQRPVASCFXGNRE-UHFFFAOYSA-N	238.349	1.599	0	30	BDAC	
C=CC(=O)N1Cc2cccc(C(=O)O)c2C1	703150791	LTHWKCXAVBCXBF-UHFFFAOYSA-N	217.224	1.413	0	30	BDAC	
COC(=O)c1cnc2ccnn2c1Cl	95830347	NOZYZWOXGDPYAI-UHFFFAOYSA-N	211.608	1.169	0	30	BDAC	
NCCc1nc(-c2ccc(F)cc2)c[nH]1	36876310	RKWWNMLSTGPVEO-UHFFFAOYSA-N	205.236	1.717	0	30	BDAC	in-vitro
Cc1cc(C)c(O)c(C[S@@](=O)O)c1	39104945	KCQAXQGDZGUKOP-UHFFFAOYSA-N	200.259	1.731	0	30	BDAC	
Brc1ncccc1C1CNC1	237976857	XVEASDUCFRLKAJ-UHFFFAOYSA-N	213.078	1.531	0	30	BDAC	
CC(C)(C)OC(=O)[C@@]1(CN)CCCOC1	710415521	GULCKCGZWVGDNC-LLVKDONJSA-N	215.293	1.084	0	30	BDAC	
CC(=O)Oc1ccc2ncnc(OC(C)=O)c2c1	2265364165	MFHCMDRGUVPOCW-UHFFFAOYSA-N	246.222	1.480	0	30	BDAC	
Cn1cc([C@H](N)Cc2ccc(F)cc2)cn1	34957662	VGRMKHIHZFMJAM-GFCCVEGCSA-N	219.263	1.802	0	30	BDAC	
CC(=O)c1ccc(=O)[nH]c1C=CN(C)C	33928538	FLJCJGRJHJFVGA-UHFFFAOYSA-N	206.245	1.110	0	30	BDAC	
CC[C@@H](CCO)NC(=O)OC(C)(C)C	39093211	BUQMELIOJVZHGM-QMMMGPOBSA-N	203.282	1.672	0	30	BDAC	
O=C(O)[C@@H]1[C@H]2CCC[C@@H](CC2)[C@H]1C(=O)O	247413685	PXKSVNOELLJRND-RBXMUDONSA-N	212.245	1.598	0	30	BDAC	
CC1(C)CC(N2C(=O)C=CC2=O)CC(C)(C)N1	3160142	FFIJIFGRYNWQNQ-UHFFFAOYSA-N	236.315	1.221	0	30	BDAC	
O=C(O)[C@@H]1[C@H]2C[C@@]1(c1cccc(F)c1)CO2	757546112	SMVCSRRMMCMVBR-SCVCMEIPSA-N	222.215	1.567	0	30	BDAC	
CCOC(=O)c1cnc(OCC)nc1Cl	33606865	GRLKBTHCYBPJBT-UHFFFAOYSA-N	230.651	1.705	0	30	BDAC	
COC(=O)c1ccc2c(c1)NC[C@@H](C)O2	84772451	FXVYMZGNKUQGLW-SSDOTTSWSA-N	207.229	1.666	0	30	BDAC	
CNS(=O)(=O)[C@H](C)c1ccc(F)cc1	669375799	VBQNLPJRUHDCSG-SSDOTTSWSA-N	217.265	1.436	0	30	BDAC	
N[C@H]1Cc2n[nH]cc2[C@@H](C(F)(F)F)C1	685944682	NYGXCMYDQWYVCJ-XINAWCOVSA-N	205.183	1.329	0	30	BDAC	
Nc1cnc(Cl)nc1OCC(F)F	236364016	PGGCZVNSUKQHCB-UHFFFAOYSA-N	209.583	1.356	0	30	BDAC	
COc1ccccc1-c1c[nH]c(CN)n1	36870951	VIAMQLXTHMQEBW-UHFFFAOYSA-N	203.245	1.544	0	30	BDAC	
CC(=O)NC(=O)N(C)C(=O)Nc1ccccc1	33873289	OTQKGHUJKPAXCI-UHFFFAOYSA-N	235.243	1.406	0	30	BDAC	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1CN	91675839	AUVFTKSYBSBNAS-KXUCPTDWSA-N	226.320	1.733	0	30	BDAC	
NC(=S)c1ccc(N2CCCC2=O)cc1	19471017	WMBVPTLBHVMKOY-UHFFFAOYSA-N	220.297	1.448	0	30	BDAC	
CCSC(=O)N1CCCC(=O)CC1	5921797	YLVNSAVMURNSJQ-UHFFFAOYSA-N	201.291	1.915	0	30	BDAC	
Cc1ccc(N2Cc3nc(N)nc(O)c3C2)cc1	536557757	LVGWQTHIDIRUSR-UHFFFAOYSA-N	242.282	1.593	0	30	BDAC	
Cc1ocnc1I	200758380	XWTSTDJIXGUJDY-UHFFFAOYSA-N	208.986	1.588	0	30	BDAC	
COc1ccc(OC)c([S@@](=O)O)c1OC	203669664	YOFJOJGNPJTGNL-UHFFFAOYSA-N	232.257	1.293	0	30	BDAC	
O=C(CCCC(=O)N1CCCC1)N1CCCC1	140074	KBJHHEFKAJHHGN-UHFFFAOYSA-N	238.331	1.402	0	30	BDAC	
C[C@H]1C[C@@H](CN)CN1C(=O)OC(C)(C)C	107249007	OMYUWTDLNUMEGX-IUCAKERBSA-N	214.309	1.591	0	30	BDAC	
CC(C)(C)OC(=O)Nc1nc(CCN)cs1	39123780	YHAIUNQQYSICDB-UHFFFAOYSA-N	243.332	1.991	0	30	BDAC	
CCCNCCNC(=O)OC(C)(C)C	34410440	NYODQEVNDGLFRF-UHFFFAOYSA-N	202.298	1.511	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC12CC(CN)C2	1535647300	JXPOTFXTPKCHHT-UHFFFAOYSA-N	226.320	1.735	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](N)[C@@H]21	215197073	VACFVWQUAZOQDH-HRDYMLBCSA-N	212.293	1.343	0	30	BDAC	
O=C(O)[C@@]1(Cc2ccccc2)CCCNC1	41232470	VUABMCZPLLTLBX-CYBMUJFWSA-N	219.284	1.684	0	30	BDAC	
O=S1(=O)N=C(O)C[C@H]1c1ccccc1	35300520	UYQRVATUDIMDJN-QMMMGPOBSA-N	211.242	1.418	0	30	BDAC	
CN(Cc1ccccc1)C1(CN)CCC1	86474930	GLFIQASVJDZWCY-UHFFFAOYSA-N	204.317	2.000	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@H](F)C1	215170855	NBOGKMXMCRIGDG-RKDXNWHRSA-N	232.299	1.683	0	30	BDAC	
CNS(=O)(=O)c1cc2ccccc2s1	116563362	NSFAEEGBOHZRND-UHFFFAOYSA-N	227.310	1.809	0	30	BDAC	
O=C1OCCCOC(=O)[C@H]2CCCC[C@H]12	141980078	ALIKYTIVBISXPO-IUCAKERBSA-N	212.245	1.283	0	30	BDAC	
Cc1cccc(CN2CCO[C@@H](CN)C2)c1	11885826	UMDJSGAJEMJQCC-ZDUSSCGKSA-N	220.316	1.155	0	30	BDAC	in-vitro
Nc1ccccc1[S@@](=O)C(F)(F)F	42194607	OAFZTOSGYXTPME-ZDUSSCGKSA-N	209.192	1.896	0	30	BDAC	
COc1cccc2c1cc1n2CCNC1	82382503	JYDPIXHJBXIBML-UHFFFAOYSA-N	202.257	1.753	0	30	BDAC	
CCOC(=O)CS(=O)(=O)c1cccc(C)c1	40695712	DKBHHMLGBAWFQI-UHFFFAOYSA-N	242.296	1.332	0	30	BDAC	
COC(=O)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12	259713478	NJKNDGQUFLNXNJ-HTQZYQBOSA-N	241.287	1.272	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1C[C@@H]([S@](C)(=N)=O)C1	2265384888	CVLPYAJJSRUPPS-WLOPVIGXSA-N	248.348	1.719	0	30	BDAC	
Cc1cc(NC(=O)Cc2ccccc2N)n(C)n1	22223145	OHJKLRDRZSXGGW-UHFFFAOYSA-N	244.298	1.492	0	30	BDAC	
NCCc1nc2cc3c(cc2[nH]1)CCCC3	41580020	OAWUWUGESJQQIO-UHFFFAOYSA-N	215.300	1.943	0	30	BDAC	
Cc1ccnc([C@@H](N)C2CCOCC2)c1	68957939	OPQZVLIQPYISQP-LBPRGKRZSA-N	206.289	1.816	0	30	BDAC	
Nc1cc(Nc2ccc(C(=O)O)cc2)nc(N)n1	82309403	IQFWENCBWDXNGG-UHFFFAOYSA-N	245.242	1.083	0	30	BDAC	
CC(C)(C)OC(=O)NCc1cc(C(=O)O)[nH]n1	238175468	WGTMRGCUYNTDDL-UHFFFAOYSA-N	241.247	1.133	0	30	BDAC	
Oc1nc2ccc(Cl)nc2n2cncc12	34579028	XOVDCRJSULXUPB-UHFFFAOYSA-N	220.619	1.637	0	30	BDAC	
Nc1ccnc(OCC(F)(F)C(F)F)c1	43569568	YWCQTFCDORPGBO-UHFFFAOYSA-N	224.157	1.943	0	30	BDAC	in-vitro
COC(=O)c1cccc2c(C)n(C)nc12	261193146	PDYGTWXEOZUMFO-UHFFFAOYSA-N	204.229	1.668	0	30	BDAC	
CC[C@H](C(=O)NC(=O)NC(C)=O)c1ccccc1	3871376	GBPZSCQLDXUGNO-NSHDSACASA-N	248.282	1.553	0	30	BDAC	in-man
COCCCS(=O)(=O)c1ccc(N)cc1	42193073	BLPNTHKVBBORLN-UHFFFAOYSA-N	229.301	1.079	0	30	BDAC	in-vitro
O=C(O)c1ccnnc1NC1CCCC1	87615826	FUGDEFLPBLKJQP-UHFFFAOYSA-N	207.233	1.529	0	30	BDAC	in-vitro
COc1nsc(CO)c1Br	407986247	NPDFXLRLRGTZBW-UHFFFAOYSA-N	224.079	1.407	0	30	BDAC	
CN=[S@@](C)(=O)c1cccc(C(=O)O)c1	521399793	PGVPNNCJRLMIIJ-AWEZNQCLSA-N	213.258	1.471	0	30	BDAC	
CC(C)(C)OC(=O)C1CC2(CC(N)C2)C1	400562132	OHBXNZVZRBZTLW-UHFFFAOYSA-N	211.305	1.846	0	30	BDAC	
CCc1cccc(CC)c1S(N)(=O)=O	36667013	UPQAEHYDBUCFGA-UHFFFAOYSA-N	213.302	1.459	0	30	BDAC	
CCOC(=O)CC[C@@H]1CCO[C@@H]1OC	39100764	UBULFWAJFUOVTD-SCZZXKLOSA-N	202.250	1.339	0	30	BDAC	
O=C(Nc1nnn[nH]1)c1cccc2cccnc12	39418398	VSMCHFPJPJNCEE-UHFFFAOYSA-N	240.226	1.000	0	30	BDAC	
O=C1C=CC(=O)N1CCc1ccc(Cl)cc1	100328	MZOKHTDHXVAGFM-UHFFFAOYSA-N	235.670	1.808	0	30	BDAC	
Nc1cccc(I)c1CO	121951254	BNVVIQQVYLYNCY-UHFFFAOYSA-N	249.051	1.366	0	30	BDAC	in-vitro
CC[C@H](CCO)NC(=O)OC(C)(C)C	39093238	BUQMELIOJVZHGM-MRVPVSSYSA-N	203.282	1.672	0	30	BDAC	
COC(=O)[C@@H](C)C(=O)Cc1ccccc1	43502148	INPKOMXDGYJZDT-VIFPVBQESA-N	206.241	1.607	0	30	BDAC	in-vitro
NC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21	285219014	XHKRYPHYFLZZIA-JHJVBQTASA-N	246.310	1.570	0	30	BDAC	
COC(=O)c1cc(Br)cc(C)n1	95642100	MIZVHGOWTACURZ-UHFFFAOYSA-N	230.061	1.939	0	30	BDAC	
COc1ccc2c(c1)CNCC(C)(C)O2	213390564	QXGAQSSSPHTUHU-UHFFFAOYSA-N	207.273	1.956	0	30	BDAC	
O=C(O)CNC(=O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2	2265289689	FGCTZJMAHLGRBY-QOAFMVCWSA-N	237.299	1.404	0	30	BDAC	
CCCCN(C(=O)OCC)C(N)=S	39124865	XGSRHICTWXIFSK-UHFFFAOYSA-N	204.295	1.489	0	30	BDAC	
O=c1cc(O)c2cccc3c2n1CCC3	100295523	MXPFUAXGAPKHPR-UHFFFAOYSA-N	201.225	1.653	0	30	BDAC	
Cn1ncc(Br)c1CN1CC(F)C1	307556164	UEIJOJCHIWAPAC-UHFFFAOYSA-N	248.099	1.336	0	30	BDAC	
CCCCC(=O)Nc1cncc(C(=O)O)c1	62946421	KSYARJALXSCYAT-UHFFFAOYSA-N	222.244	1.909	0	30	BDAC	
COC(=O)[C@H](C)C(=O)Cc1ccccc1	43502150	INPKOMXDGYJZDT-SECBINFHSA-N	206.241	1.607	0	30	BDAC	in-vitro
COC(=O)c1ccc(C(=O)N(C)OC)cc1	57783713	WSFWZFRKCJTFMV-UHFFFAOYSA-N	223.228	1.107	0	30	BDAC	in-vitro
NC(=O)c1cc(N)ccc1OCC(F)(F)F	41046144	JCZZNPQDFSEEHZ-UHFFFAOYSA-N	234.177	1.309	0	30	BDAC	in-vitro
OCc1ccc2c(c1)CCC21OCCO1	98181385	AKKGPPKOURTUEP-UHFFFAOYSA-N	206.241	1.325	0	30	BDAC	
CC(=O)N[C@H]1CCC(=O)c2sccc21	5160478	RSZVADWXNPHYKP-QMMMGPOBSA-N	209.270	1.902	0	30	BDAC	
CCC(=O)c1ccccc1OC[C@@H](O)CO	5818827	KLFOHIJBCWYYDM-VIFPVBQESA-N	224.256	1.011	0	30	BDAC	
CN[C@H]1CCN(c2ccccc2F)C1=O	49647672	LXSCPIWTZCIAIQ-VIFPVBQESA-N	208.236	1.150	0	30	BDAC	in-vitro
COc1ccc2[nH]cc([C@@H]3CC(=O)NC3=O)c2c1	143976503	SWCLPNRWVPHAJK-VIFPVBQESA-N	244.250	1.307	0	30	BDAC	
COC(=O)[C@@H](N)[C@@H]1CCc2ccccc21	34216991	FJHKXJFEAMOZFF-MNOVXSKESA-N	205.257	1.217	0	30	BDAC	
NC(=S)[C@H]1CCCN(C(=O)c2ccccc2)C1	79835048	KPFUZAZOVWSGFA-NSHDSACASA-N	248.351	1.825	0	30	BDAC	
C[C@@H](N)C1(n2cc(Br)cn2)CC1	1535364235	QUJCLIJRNHNGJK-ZCFIWIBFSA-N	230.109	1.482	0	30	BDAC	
COc1cnc(Br)nc1Cl	261508727	WGINYXKHMIBHRR-UHFFFAOYSA-N	223.457	1.901	0	30	BDAC	
CCc1nnc(I)s1	71052119	VQTJRZZHQZNLKF-UHFFFAOYSA-N	240.069	1.705	0	30	BDAC	
C[C@@H](O)Cc1ccccc1S(C)(=O)=O	63037905	CUQHTNZORNLLQA-MRVPVSSYSA-N	214.286	1.013	0	30	BDAC	in-vitro
O=C1Cc2cn(C(=O)C(F)(F)F)cc2C1	66349461	UZXUQEJCZYEPBY-UHFFFAOYSA-N	217.146	1.358	0	30	BDAC	
NNc1cccc([C@@H](F)C(F)(F)F)n1	2265385751	ORWYRAKLAOZKLB-ZCFIWIBFSA-N	209.146	1.940	0	30	BDAC	
CCN(CC)CC(=O)Nn1c(C)ccc1C	3621789	JILVGFUFPUCQFJ-UHFFFAOYSA-N	223.320	1.517	0	30	BDAC	
CC(C)(C)OC(=O)N1C2CCC1(CN)CC2	307399393	WKMITBBEIJTYRX-UHFFFAOYSA-N	226.320	1.877	0	30	BDAC	
CCn1cc(C(=O)O)c(=O)c2ccsc21	35570243	KYAOXQDNWPEPDQ-UHFFFAOYSA-N	223.253	1.781	0	30	BDAC	
Oc1ccc(Cl)cc1N1CCNCC1	75069375	GHDUVGOEHGCXAM-UHFFFAOYSA-N	212.680	1.455	0	30	BDAC	
CC[C@@H](C)[C@H](NC)[C@@H](CC(=O)O)OC	142739691	GHCBYDBRCQYPPL-MRTMQBJTSA-N	203.282	1.110	0	30	BDAC	
COC(=O)[C@]12CC[C@H]1c1ccccc1N2	2265385758	PQKRBZIRIBYZPI-CABZTGNLSA-N	203.241	1.901	0	30	BDAC	
C=CC(=O)N[C@@H](C(=O)O)c1ccccc1	19442356	CAPGRIWPEZQFOH-SNVBAGLBSA-N	205.213	1.115	0	30	BDAC	
CNC(=O)CNCc1cccc(C(F)(F)F)c1	20044230	AWMPRYLANMHZSN-UHFFFAOYSA-N	246.232	1.541	0	30	BDAC	
CCOC(=O)c1c(COC)nc2ncccn12	21986668	CZRRJLRUHPGOBG-UHFFFAOYSA-N	235.243	1.052	0	30	BDAC	
Cc1ccc2c(c1)Nc1c(c(=O)c1=O)N2	4347916	IYRRWNGOFHEBIN-UHFFFAOYSA-N	200.197	1.392	0	30	BDAC	
CN(C)C(=O)c1cnc(N)c(Br)c1	306703538	GUFFJZFWIJFACE-UHFFFAOYSA-N	244.092	1.128	0	30	BDAC	
CO[C@@]1(c2nc(Br)no2)CCOC1	307099087	WPEKSPSGQVCYFT-ZETCQYMHSA-N	249.064	1.094	0	30	BDAC	
NNc1ccc(Br)cc1O	216227702	UFPHCCHSICYZDL-UHFFFAOYSA-N	203.039	1.440	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1N	709927065	DFNHDENZYXCPSX-JGVFFNPUSA-N	200.282	1.248	0	30	BDAC	
O=C(O)Cc1ccc(-c2ncccn2)cc1	715711074	COQZPWYUYITHKX-UHFFFAOYSA-N	214.224	1.771	0	30	BDAC	
C[C@@H]1c2[nH]nc(N)c2CN1C(=O)OC(C)(C)C	206042338	BXCWXKSMKKEXCN-ZCFIWIBFSA-N	238.291	1.804	0	30	BDAC	
CC(C)(C)CC(=O)N[C@H]1CC[C@H](O)CC1	245522936	URHTYMQHXBHYMT-MGCOHNPYSA-N	213.321	1.842	0	30	BDAC	
NCC(F)(F)C(F)(F)Br	143198893	CNAMDXQDAMZZPQ-UHFFFAOYSA-N	209.968	1.568	0	30	BDAC	
CN1CCn2ncc(Br)c21	107144308	WMZMFGZVTIQWJV-UHFFFAOYSA-N	202.055	1.095	0	30	BDAC	
COc1ccc2c(c1)[C@@H](N)[C@H](OC)CC2	86119291	GLKZLMXELQFUOC-VXGBXAGGSA-N	207.273	1.656	0	30	BDAC	
COC(=O)CC[C@@H]1CC2(CCC1=O)OCCO2	4336600	SFTQBDKZDPCZTN-SECBINFHSA-N	242.271	1.052	0	30	BDAC	
CN(C)[S@](=N)(=O)c1ccc(C(=O)O)cc1	1535644503	ZOHONTYKDYZOFY-HNNXBMFYSA-N	228.273	1.267	0	30	BDAC	
CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1	96300661	RZZQCXQPOYGTSJ-AWEZNQCLSA-N	233.311	1.914	0	30	BDAC	
CN[C@@H](C(C)C)[C@@H](CC(=O)OC(C)(C)C)OC	39077412	XACLOOAIJNCRDI-PWSUYJOCSA-N	245.363	1.977	0	30	BDAC	
Nc1ccc(C(=O)O)c2c(C(=O)O)cccc12	70642	RBLLAHRFLNTVPD-UHFFFAOYSA-N	231.207	1.818	0	30	BDAC	
O=C(O)c1cccc(F)c1-n1nccn1	116594884	ALACTBSPYZFNIK-UHFFFAOYSA-N	207.164	1.105	0	30	BDAC	
COCc1cc(=O)n2nc(C(C)(C)C)cc2[nH]1	18038267	XCTKKWPSCHZPLY-UHFFFAOYSA-N	235.287	1.467	0	30	BDAC	
O=S(=O)(O)c1ccc(O)c2cc(O)ccc12	34410711	PHPBVPIJJSAZJD-UHFFFAOYSA-N	240.236	1.498	0	30	BDAC	
COc1cc2c(cc1OC)[C@@H](CCO)NCC2	4262564	VIWOJGACEJJOIU-LLVKDONJSA-N	237.299	1.273	0	30	BDAC	
CCOc1ccc2[nH]cc(C(=O)O)c(=O)c2n1	39615443	WDXGZPGBPUNRNK-UHFFFAOYSA-N	234.211	1.020	0	30	BDAC	
CC(C)(C)OC(=O)N1CC2(C1)NCCS2	87602257	IQXCDAYJRMWENW-UHFFFAOYSA-N	230.333	1.270	0	30	BDAC	
N[C@@H]1COc2ncc(C(F)(F)F)cc21	238654618	HRGNAWCAUXEGQY-ZCFIWIBFSA-N	204.151	1.493	0	30	BDAC	
CCOC(=O)c1nc2c(C)cccn2n1	238298500	JKODVXNLKZIKRG-UHFFFAOYSA-N	205.217	1.214	0	30	BDAC	
CCO[C@H]1OC(=O)C(C)(C)O[C@@H]1OCC	34520960	GVLFVFPZDHRGRN-YUMQZZPRSA-N	218.249	1.064	0	30	BDAC	
CCOC(=O)c1cnn2ccc(C)nc12	69591302	RJCWGPAXFBIHLH-UHFFFAOYSA-N	205.217	1.214	0	30	BDAC	
OCc1ccc(OCC(F)(F)F)cn1	86336235	KYPHIGVGVMAUHO-UHFFFAOYSA-N	207.151	1.515	0	30	BDAC	in-vitro
COC(=O)[C@H](N)Cc1ccc(C)cc1Cl	95640043	HVJJAGLAOGURHQ-SNVBAGLBSA-N	227.691	1.691	0	30	BDAC	
CCOC[C@@H](O)CN1CCSC(C)(C)C1	83690378	DTUGLVIHMWXHAT-JTQLQIEISA-N	233.377	1.211	0	30	BDAC	
CNS(=O)(=O)[C@@H](C)c1ccc(F)cc1	669375800	VBQNLPJRUHDCSG-ZETCQYMHSA-N	217.265	1.436	0	30	BDAC	
CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)OCC	38255226	YRPNQIAJKKZJBQ-LMLFDSFASA-N	240.299	1.775	0	30	BDAC	
COCC[S@](=O)c1ccc(CC(=O)O)cc1	82990806	KYCABZUPZOOPPY-MRXNPFEDSA-N	242.296	1.068	0	30	BDAC	
COc1ccc(C2(C(=O)O)CCC2)cn1	83286668	AOOATLNPAAEVSQ-UHFFFAOYSA-N	207.229	1.597	0	30	BDAC	
COc1cc(Br)nc(C=O)c1	95642393	GZOHBYGYRBYGKZ-UHFFFAOYSA-N	216.034	1.665	0	30	BDAC	
CC(C)(C)OC(=O)Nc1cc(C(=O)O)no1	95929831	CCCHFCPUBYWBCF-UHFFFAOYSA-N	228.204	1.720	0	30	BDAC	in-vitro
COC(=O)c1cc(OC(C)C)cc(C(=O)O)c1	117132544	KWBOAQMDZIMEIC-UHFFFAOYSA-N	238.239	1.959	0	30	BDAC	
CCOC(=O)CC(=O)Cc1ccccn1	43501781	GEYRARLZDCTSDD-UHFFFAOYSA-N	207.229	1.146	0	30	BDAC	
CC1(C)CNCCN(C(=O)OC(C)(C)C)C1	215778595	UIGXPQLKWTUBAQ-UHFFFAOYSA-N	228.336	1.853	0	30	BDAC	
O=C(O)[C@H]1Cc2ccc(Cl)cc2CN1	5522395	JCIOLAVNXSFZSH-SECBINFHSA-N	211.648	1.439	0	30	BDAC	
Cc1ccc2ncccc2c1S(N)(=O)=O	615136294	LABGWTGEVAGALO-UHFFFAOYSA-N	222.269	1.191	0	30	BDAC	
Clc1cnc(N2[C@H]3CC[C@H]2CNC3)nc1	663281493	WMZDOSZFEMKWSU-IUCAKERBSA-N	224.695	1.071	0	30	BDAC	
COC(=O)[C@]1(C(=O)O)C[C@H]1c1ccccc1	140334624	KICBKCDHFFGKCB-JOYOIKCWSA-N	220.224	1.418	0	30	BDAC	
S=C(SCc1ncon1)N1CCCC1	110444	XMUPKCKQRCWGEB-UHFFFAOYSA-N	229.330	1.684	0	30	BDAC	
CN(C)c1c(F)cc(-c2nnn[nH]2)cc1F	138793	HXPUWFONCVJJJH-UHFFFAOYSA-N	225.202	1.211	0	30	BDAC	
CC(C)NC(=O)[C@H]1CCCN(c2ncccn2)C1	1357847	MRVDXYKVMUVDPY-NSHDSACASA-N	248.330	1.218	0	30	BDAC	
CCOC(=O)c1n[nH]nc1C(F)(F)F	116107757	XBNJMJXBFYMNAL-UHFFFAOYSA-N	209.127	1.000	0	30	BDAC	
NCCc1ccc(CN2CCOCC2)cc1	45205620	BKTTZRZRSCBLPX-UHFFFAOYSA-N	220.316	1.020	0	30	BDAC	
O=C(O)[C@@H]1CCn2c(Br)cnc2C1	211421048	JGXLZMHUPBJKLP-RXMQYKEDSA-N	245.076	1.293	0	30	BDAC	
CSc1ccc(NC(=O)/C=C/C(=O)O)cc1	97813	ORZNNXPBJMLVIW-VOTSOKGWSA-N	237.280	1.988	0	30	BDAC	
C[C@@H]1C[C@@H](N2CNC(=S)NC2)CC(C)(C)C1	20444236	QLYOUVNYMNCTDU-NXEZZACHSA-N	241.404	1.896	0	30	BDAC	
O=C1NC(=O)[C@@H](Cc2ccc(O)cc2F)S1	72233009	KWQHLYVBSYUDRX-MRVPVSSYSA-N	241.243	1.425	0	30	BDAC	
CNC(=O)N(C)c1ccc(N(C)C)cc1	141874101	HQOSHHXBXCDNSC-UHFFFAOYSA-N	207.277	1.528	0	30	BDAC	
C/C=C/[C@H]1OC[C@H](COC(=O)CCC)O1	38613926	ICPQFQAABAQGLG-RBCJOGGLSA-N	214.261	1.647	0	30	BDAC	
CC1(C)CN(CC(N)=S)CCS1	135212967	DTLRDRGBHJSMCP-UHFFFAOYSA-N	204.364	1.100	0	30	BDAC	
CC(C)(C)OC(=O)N1C=C(C(=O)O)CC1	84302753	CNUBGENXKRDPJH-UHFFFAOYSA-N	213.233	1.596	0	30	BDAC	
NC(=O)c1cc(Br)c(F)s1	514266593	KRUKULVQHOXZGF-UHFFFAOYSA-N	224.054	1.749	0	30	BDAC	
CCO[C@H]1C[C@@]2(NOC)CCCC[C@H]2O1	34415836	YIJVSUQFYAOVLM-MXWKQRLJSA-N	215.293	1.602	0	30	BDAC	
CC(C)OC(=O)NCC[C@@H]1CCCN1C	710461299	LSGPEZRTMISFTQ-JTQLQIEISA-N	214.309	1.605	0	30	BDAC	
Cn1nccc1NC(=O)CCc1ccccc1	116712	RDRCUEVWULSLKN-UHFFFAOYSA-N	229.283	1.991	0	30	BDAC	
CC(=O)CSC(=S)N1CCSCC1	140439	QZFUKJCKXQTUOF-UHFFFAOYSA-N	235.399	1.642	0	30	BDAC	
CN(C)CC(=O)NC12CC3CC(CC(C3)C1)C2	4744226	FDKYVHSONUGTMO-UHFFFAOYSA-N	236.359	1.633	0	30	BDAC	
NC[C@H]1CCCN1CCc1ccccc1	19843296	BUUPCNSSZPMOOR-CYBMUJFWSA-N	204.317	1.652	0	30	BDAC	in-vitro
Oc1nnc2nnc3cc(Cl)ccc3n12	133538	RMWPMOZVCUTMNU-UHFFFAOYSA-N	221.607	1.032	0	30	BDAC	
CCOC(=O)CCNc1ccncc1N	45687867	RKUZMGKJJWSSQG-UHFFFAOYSA-N	209.249	1.029	0	30	BDAC	
CCOC(=O)[C@@]1(N)Cc2ccc(Cl)cc2C1	95642880	YSKZOOQTXATSJP-GFCCVEGCSA-N	239.702	1.699	0	30	BDAC	
CCc1ccc(N)c(Br)n1	238279191	CAQCNEQWPFFUDA-UHFFFAOYSA-N	201.067	1.989	0	30	BDAC	
CC(C)[C@@H](OCCO)C(C)(C)COCCO	5761329	GPKLLERXYXMLED-LLVKDONJSA-N	234.336	1.055	0	30	BDAC	
COC(=O)CCCC[C@@H](N)C(F)(F)F	711605268	XACSAPQFWVTFQV-ZCFIWIBFSA-N	213.199	1.609	0	30	BDAC	
COC(=O)C[C@H]1COc2c(O)cccc21	238373029	NWMCEEJWYBTHIH-ZETCQYMHSA-N	208.213	1.431	0	30	BDAC	in-vitro
c1cc(-c2ncc[nH]2)nc(-c2ncc[nH]2)c1	38857246	QRXXESJEYWZJDT-UHFFFAOYSA-N	211.228	1.862	0	30	BDAC	
O=C1COc2cc(Br)cnc21	238040155	SAIMCIZGDRGDOF-UHFFFAOYSA-N	214.018	1.419	0	30	BDAC	
NC[C@@H]1CCCC[C@@H]1Cc1noc(O)n1	90608918	AUUWFLGYTLJQOV-SFYZADRCSA-N	211.265	1.083	0	30	BDAC	
Cc1cc(O)c(C(=O)OCC2CC2)c(=O)o1	39098775	FJBYHKIYQQIRAC-UHFFFAOYSA-N	224.212	1.221	0	30	BDAC	
CC[C@@H](N)[C@@H](c1ccc(C)cc1)n1cncn1	42915820	JPFGKUSWXVKIDE-CHWSQXEVSA-N	230.315	1.913	0	30	BDAC	in-vitro
Cc1cccc([C@H]2NN=C(c3cnccn3)N2)c1	127466	JNIBBJGHOCQFNK-GFCCVEGCSA-N	239.282	1.338	0	30	BDAC	
COC(=O)[C@@H](O)c1ccc(Cl)c(F)c1	50975138	VFZKBSXCUYNSAZ-QMMMGPOBSA-N	218.611	1.686	0	30	BDAC	
CC(C)(C)n1ncc(Br)c1N	75843763	FCFQEBUFGRKYKZ-UHFFFAOYSA-N	218.098	1.983	0	30	BDAC	
O=C(OC[C@H]1OCCS1)c1ccccc1	34623692	PCXPPEVXIKTQGP-JTQLQIEISA-N	224.281	1.933	0	30	BDAC	
COc1cc(Br)c(C(=O)O)cn1	95642357	APWCDGJEQKKPRC-UHFFFAOYSA-N	232.033	1.551	0	30	BDAC	
c1cn(C2CCC3(CC2)OCCO3)cn1	114280026	CYLRCXNQNXDBFB-UHFFFAOYSA-N	208.261	1.741	0	30	BDAC	
CCCCc1c(C)[nH]c2c1c(=O)n(C)c(=O)n2C	33756477	LDVYWVWRKISVMO-UHFFFAOYSA-N	249.314	1.216	0	30	BDAC	
CCCCS(=O)(=O)c1cccc(N)c1	88063521	AAQPOJXXWZKHNL-UHFFFAOYSA-N	213.302	1.843	0	30	BDAC	in-vitro
CN1C(=O)CSC1=CC(=O)C(C)(C)C	12504660	MFJKQOSKZHFFRG-UHFFFAOYSA-N	213.302	1.648	0	30	BDAC	
COC(=O)[C@H]1C[C@@H](C(F)(F)F)CCC1=O	261508328	RKXNVWAQNWFPEV-WDSKDSINSA-N	224.178	1.707	0	30	BDAC	
CN[C@H](C(=O)O)c1ccccc1OC(F)F	37180895	BFBDGLUIPGBPFU-QMMMGPOBSA-N	231.198	1.633	0	30	BDAC	
NC(=S)[C@@H](NC(=O)c1ccccc1)C1CC1	70665046	QXZWMAIADKSTTR-JTQLQIEISA-N	234.324	1.481	0	30	BDAC	in-vitro
S=C(NCC1CC1)Nc1cccnc1	66426	MNHHTSIFEVCVRO-UHFFFAOYSA-N	207.302	1.778	0	30	BDAC	
COC(=O)c1ccc(CC(=O)O)cc1F	118651220	OKKGGXQDKZFZNY-UHFFFAOYSA-N	212.176	1.239	0	30	BDAC	
CC(C)C[C@H](COC(N)=O)CC(=O)O	21301359	NTVOVZWMGSQYKT-ZETCQYMHSA-N	203.238	1.219	0	30	BDAC	
O=C1CCN=C2C[C@H](c3ccccc3)CN12	31297915	JFKIAPMUYQUVHX-NSHDSACASA-N	214.268	1.805	0	30	BDAC	in-man
C[C@@H]1NC[C@@H](C)n2c1nnc2C(F)(F)F	40434623	CYPMJSDKSWYWNO-UHNVWZDZSA-N	220.198	1.522	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@]2(O)C[C@@H]2C1	642879152	ANYXOONFHQCZBY-LDYMZIIASA-N	213.277	1.378	0	30	BDAC	
O=C1C=NN(c2cccc(Cl)c2)C(=O)C1	957599316	SAESGYXHBKKAOF-UHFFFAOYSA-N	222.631	1.632	0	30	BDAC	
c1ccc(CN2CC[C@@H]3OCCN[C@H]3C2)cc1	250648556	NQOZBPSEWFZGRL-KBPBESRZSA-N	232.327	1.249	0	30	BDAC	
N[C@H]1CCCN(c2cnc3ccccc3n2)C1	52017854	GMCGVHFBVXMBOO-JTQLQIEISA-N	228.299	1.557	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N[C@@H]1[C@H]2CCNC[C@@H]21	100099580	AEQQHYBIUSFPDQ-XHNCKOQMSA-N	212.293	1.119	0	30	BDAC	
O=C(C=NO)Nc1ccc(F)cc1Cl	388557693	CVGKCVIPUVTREY-UHFFFAOYSA-N	216.599	1.878	0	30	BDAC	
O=C(C=NO)Nc1ccc(Cl)cc1F	388563189	PMHDWIOOTCBSKU-UHFFFAOYSA-N	216.599	1.878	0	30	BDAC	
CC(C)(C)OC(=O)CC1=NC(=O)CS1	18052697	NBKKBCXVNGZSLG-UHFFFAOYSA-N	215.274	1.390	0	30	BDAC	
CC(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2	5252234	BPYGVJPRQJPUCQ-UHFFFAOYSA-N	232.283	1.944	0	30	BDAC	
CC[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)O)CC1	514268713	KOPSGCSSBLKUES-NAKRPEOUSA-N	239.315	1.792	0	30	BDAC	
NC(=O)c1ccc(NCc2ccccc2)nn1	21297988	UQIVSCTXCWRIIR-UHFFFAOYSA-N	228.255	1.188	0	30	BDAC	
COC(=O)c1c(C(C)C)nc2ncccn12	21986664	IOTGNJDHOUUOFD-UHFFFAOYSA-N	219.244	1.639	0	30	BDAC	
CSc1ncc(Br)n1C	38673073	QMOUIQRRTZBTTP-UHFFFAOYSA-N	207.096	1.905	0	30	BDAC	
COC(=O)c1cc(CO)ccc1Cl	238356633	SEPKTYSNCVXBAG-UHFFFAOYSA-N	200.621	1.619	0	30	BDAC	
CNc1ccccc1CN1CCOCC1	95934265	AGNPRZQICOADCW-UHFFFAOYSA-N	206.289	1.561	0	30	BDAC	
COC(=O)[C@@H](N)Cc1ccc(Cl)cc1OC	95640437	RJHJEVXETCNJBE-VIFPVBQESA-N	243.690	1.391	0	30	BDAC	
Clc1nc[nH]c1I	22001007	SRLPYSSLGPKAFR-UHFFFAOYSA-N	228.420	1.668	0	30	BDAC	
O=C(O)C(C(=O)O)=C1C2CC3CC(C2)CC1C3	4301075	WDZNKSJWDRECSO-UHFFFAOYSA-N	236.267	1.908	0	30	BDAC	
CNCC1CN(C(=O)OCc2ccccc2)C1	307411910	KKHWCQYKDLBRBJ-UHFFFAOYSA-N	234.299	1.474	0	30	BDAC	
CC(C)Oc1ccc([C@H](N)CCO)cc1	44232941	LRPNDUZWECUYAT-GFCCVEGCSA-N	209.289	1.856	0	30	BDAC	
COC(=O)Cc1ccc(O)cc1Cl	75601742	UFMYMZSZEJWWBW-UHFFFAOYSA-N	200.621	1.761	0	30	BDAC	in-vitro
Nc1cnc2cnc(Br)cn12	82048627	RQLIMNMMGNKLTM-UHFFFAOYSA-N	213.038	1.074	0	30	BDAC	in-vitro
CC(=O)Nc1ccc(C[C@H](C)O)cc1[N+](=O)[O-]	146791702	MCSMSATUIVCTDA-ZETCQYMHSA-N	238.243	1.477	0	30	BDAC	
CCOC(=O)c1ncoc1-c1cnn(C)c1	43304413	OPJUWCGAXPPJIM-UHFFFAOYSA-N	221.216	1.252	0	30	BDAC	
N[C@H](c1ccccc1)[C@@H](O)C(F)(F)F	20281448	GFSZBXASMXIZSV-HTQZYQBOSA-N	205.179	1.610	0	30	BDAC	in-vitro
Nc1nccnc1OCCC(F)(F)F	230676100	QURZBTWKINNZNP-UHFFFAOYSA-N	207.155	1.390	0	30	BDAC	
COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1	90395210	JVRFUAIQPLFAGT-JTQLQIEISA-N	244.335	1.232	0	30	BDAC	
O=C1OCC[C@]12Sc1ncccc1C2=O	15043184	TVFIIICWVZKOHI-SNVBAGLBSA-N	221.237	1.056	0	30	BDAC	
CN1C(=O)SC(=Cc2ccc(N)cc2)C1=O	2265228138	FOXQDTHNUCTBTK-UHFFFAOYSA-N	234.280	1.935	0	30	BDAC	
COc1ccc2[nH]c(C[C@@H](N)C(=O)O)cc2c1	44291867	MPCIVIYETBUBJF-SNVBAGLBSA-N	234.255	1.131	0	30	BDAC	
O=C(O)[C@]1(c2cccc(Cl)c2)C[C@H]1CO	132801227	CSOCFUHEHDXTOY-KWQFWETISA-N	226.659	1.675	0	30	BDAC	
CC(=O)N/C=C\NC(=O)OC(C)(C)C	39091293	KJDZJSRDIANFJG-WAYWQWQTSA-N	200.238	1.118	0	30	BDAC	
NCc1ccn(-c2ccc(Cl)cc2)n1	82640560	ZSVOLKIANVTSRD-UHFFFAOYSA-N	207.664	1.984	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@](C)(C(=O)O)C(F)F	698789119	VXRNTACBEWCPSU-SECBINFHSA-N	239.218	1.620	0	30	BDAC	
Cc1nn(C2CC2)c(Cl)c1C(=O)O	606275935	PAYRLENZKCTEGJ-UHFFFAOYSA-N	200.625	1.878	0	30	BDAC	
CC(=O)c1ccc(NS(C)(=O)=O)c(F)c1	90557845	RLCQVLUTJPDRTK-UHFFFAOYSA-N	231.248	1.400	0	30	BDAC	in-vitro
CCOC(=O)[C@@H]1COc2ccccc2C1=O	117719925	WBTNJXOCKWYEAJ-SECBINFHSA-N	220.224	1.441	0	30	BDAC	in-vitro
Nc1cccc([C@H](N)C(F)(F)F)c1F	238635485	YGRAUONZEGMBMX-ZETCQYMHSA-N	208.158	1.970	0	30	BDAC	
COc1ccc2c(c1)C(=O)C1(CCNCC1)C2	141568828	NFPVNSLBIQOFBU-UHFFFAOYSA-N	231.295	1.804	0	30	BDAC	
O=C1NCc2cc(O)c(Br)cc21	83330733	HGPUWVLNCZHMTG-UHFFFAOYSA-N	228.045	1.398	0	30	BDAC	in-vitro
COC(=O)[C@@H]1NCCCc2ccccc21	211791804	XFXVFBGUOZBYEB-LLVKDONJSA-N	205.257	1.437	0	30	BDAC	
COC(=O)c1nc(N)cc2ccccc12	238353193	LAYFDQIPGYMTIQ-UHFFFAOYSA-N	202.213	1.604	0	30	BDAC	
O=C1CSCC(=O)N1c1ccc(Cl)cn1	69172	OHZBVCZHDKPDJV-UHFFFAOYSA-N	242.687	1.341	0	30	BDAC	
O=C(O)Cc1csc(NC[C@H]2CCCO2)n1	8024987	JOEIILMCTHSVEU-MRVPVSSYSA-N	242.300	1.361	0	30	BDAC	
CC(C)C[C@H](NCC(F)(F)F)C(=O)O	37973217	HSZXVGAYGQJYHE-LURJTMIESA-N	213.199	1.638	0	30	BDAC	
NCC1(Nc2ccccc2)CCNCC1	33607509	ZTXCELVEIDRPHK-UHFFFAOYSA-N	205.305	1.179	0	30	BDAC	
Cc1nc2ccc(N)cn2c1Br	36988213	STHGSFMXVRQGBG-UHFFFAOYSA-N	226.077	1.987	0	30	BDAC	
Cc1ccc(S(=O)(=O)O)c(C[C@@H]2CO2)c1	64034320	MEQNOSORXQJSLT-SECBINFHSA-N	228.269	1.183	0	30	BDAC	
NC[C@](O)(C1CCCCC1)C(F)(F)F	107469910	QULBKGBGXFWVET-QMMMGPOBSA-N	211.227	1.819	0	30	BDAC	
Nc1cc(NC(=O)c2cccnc2)nc(=S)[nH]1	238790061	CHQFIWPGNFZOEV-UHFFFAOYSA-N	247.283	1.369	0	30	BDAC	
CCc1ccc2c(c1)[C@@H](CC(=O)O)C(=O)N2	105381163	LMIULERIIXYEMH-SECBINFHSA-N	219.240	1.759	0	30	BDAC	
O=C(O)[C@H]1CCCCCC[C@@H]1C(=O)O	4569508	KZWFYIXNPRJUQF-YUMQZZPRSA-N	200.234	1.742	0	30	BDAC	
CC(=O)NCCc1ccc2c(c1)CCC2	75000749	JIGTWBQIKYYDJQ-UHFFFAOYSA-N	203.285	1.854	0	30	BDAC	
C#CC[C@]1(OC(C)=O)CCN(C)C[C@H]1CC	396142450	QPSFQMZFAPJFBD-OLZOCXBDSA-N	223.316	1.673	0	30	BDAC	
CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1	5497499	OMPQJMDGDAAXPE-NPMWZIQKSA-N	234.144	1.235	0	30	BDAC	biogenic,in-vitro
CCc1cc(C2=CCCN(C)C2)n(C)n1	38293262	YFHFJBHCZLSWON-UHFFFAOYSA-N	205.305	1.701	0	30	BDAC	
Cc1ccc(COc2cc(N)ncn2)nc1	2265356086	POVCGIOHDOXTFD-UHFFFAOYSA-N	216.244	1.341	0	30	BDAC	
COc1cccc2c(=O)n3c(nc12)CCCC3	39124359	ZBQPEPIWHVINOA-UHFFFAOYSA-N	230.267	1.741	0	30	BDAC	
CC[C@@](C)(NC(=O)c1ccccc1)C(N)=S	41043222	AVKVKRXLBZMKHR-GFCCVEGCSA-N	236.340	1.871	0	30	BDAC	in-vitro
Cc1cc(S(=O)(=O)O)c(C)cc1N	3199647	QTYQPEBQHHUSIK-UHFFFAOYSA-N	201.247	1.132	0	30	BDAC	
CCOc1nncc(-c2ccccc2)n1	33864766	NPVKLMWFLRCRFP-UHFFFAOYSA-N	201.229	1.937	0	30	BDAC	
CC[C@](CN)(C(=O)OC)c1ccccc1	75614545	LBFXXUAFPNZGHQ-GFCCVEGCSA-N	207.273	1.466	0	30	BDAC	
O=C(O)[C@H]1CNC[C@@H](c2ccccc2)C1	82162643	XORGFPVZKXBBJZ-WDEREUQCSA-N	205.257	1.464	0	30	BDAC	
CCOC[C@H](N)Cc1ccc(F)cc1F	84064031	YYKKATMPRATNRQ-SNVBAGLBSA-N	215.243	1.871	0	30	BDAC	
NCc1ccn(-c2cccc(Cl)c2)n1	82640559	CGNZWFABPJQEGP-UHFFFAOYSA-N	207.664	1.984	0	30	BDAC	
CCOC(=O)[C@@H](N)Cc1cnc2ccccc2n1	95921915	LPWTXEMYEMSHGL-JTQLQIEISA-N	245.282	1.063	0	30	BDAC	
CCOC(=O)c1ccc(N)c(Br)n1	260342777	GMFNFNQPUQHWDB-UHFFFAOYSA-N	245.076	1.603	0	30	BDAC	
Cc1csc(-n2cc(N(C)C)cn2)n1	3628591	JQKUCHNKMMSUJU-UHFFFAOYSA-N	208.290	1.703	0	30	BDAC	
COCC[S@@](=O)c1ccc(CC(=O)O)cc1	82990805	KYCABZUPZOOPPY-INIZCTEOSA-N	242.296	1.068	0	30	BDAC	
CCOC(=O)[C@H](N)[C@@H](C)c1ccc(OC)cc1	260734531	FDTJMWPMVHSUAM-JOYOIKCWSA-N	237.299	1.689	0	30	BDAC	
O=C(O)[C@@H]1CCCCCC[C@H]1C(=O)O	4569505	KZWFYIXNPRJUQF-HTQZYQBOSA-N	200.234	1.742	0	30	BDAC	
CN[C@@H]1CCCN(Cc2ccccc2)C1=O	70561171	CISHVRGOUPPTED-GFCCVEGCSA-N	218.300	1.397	0	30	BDAC	
CN(C)C=C([C@H]1OC(=O)c2ccccc21)[N+](=O)[O-]	20387080	PTWVMEXWFIHWRA-NSHDSACASA-N	248.238	1.578	0	30	BDAC	
CC(C)(C)OC(=O)N1CC=C[C@@]1(C)C(=O)O	38953245	WJYCQYFBOULWQN-NSHDSACASA-N	227.260	1.637	0	30	BDAC	
N[C@H]1CCCC[C@H]1Nc1ccc(Cl)nn1	38050634	CTYHBTBZMATMLT-JGVFFNPUSA-N	226.711	1.812	0	30	BDAC	
CC[C@@](C)(CN)NC(=O)OC(C)(C)C	70626901	YEPGPTKYNNBMPK-JTQLQIEISA-N	202.298	1.639	0	30	BDAC	
O=C1NCCCc2oc(Br)cc21	757115619	YBLQELIDJVTXAV-UHFFFAOYSA-N	230.061	1.718	0	30	BDAC	
COC(=O)CC(=O)c1cc(OC)ccc1O	2387187	VCCBPXZEMNEBHR-UHFFFAOYSA-N	224.212	1.147	0	30	BDAC	in-vitro
O=C(O)C1=NO[C@H](c2ccc(F)cc2)C1	259505908	POWGXLBSYQIZOC-VIFPVBQESA-N	209.176	1.728	0	30	BDAC	
Cc1cccc(C(=O)N[C@H]2CC[C@@H](N)CC2)c1O	585666830	UUWGZSLYSIPHHJ-PHIMTYICSA-N	248.326	1.700	0	30	BDAC	
CCOC(=O)[C@H]1CCc2sc(N)cc21	260999793	VDLYSBUSVBBOSP-LURJTMIESA-N	211.286	1.923	0	30	BDAC	
Cc1cc(NC(=O)c2c(C)noc2C)no1	111931	AYZDKRSIBQVZRD-UHFFFAOYSA-N	221.216	1.840	0	30	BDAC	
c1ccc(C2=NC3=NCCCN3N2)cc1	214236633	YGUAIWIZODZOSZ-UHFFFAOYSA-N	200.245	1.013	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CN)C[C@@H]21	258168380	IDABRLUXZQGROL-BBBLOLIVSA-N	226.320	1.591	0	30	BDAC	
COCCOc1cccc(F)c1[C@H](C)O	71372292	FOMYCDKDGUYSTJ-QMMMGPOBSA-N	214.236	1.904	0	30	BDAC	in-vitro
O=C1C[C@@H]2C[C@H](C1)N2Cc1ccccc1	202701382	CMBZLYFUPXYRLG-TXEJJXNPSA-N	201.269	1.992	0	30	BDAC	
CC(C)(CO)NC[C@H](O)c1cccc(F)c1	37888267	KDZZWZVDEDMULO-NSHDSACASA-N	227.279	1.220	0	30	BDAC	
CCc1sc(NS(=O)(=O)O)nc1C	39102326	VJPQAZDNVCLSST-UHFFFAOYSA-N	222.291	1.229	0	30	BDAC	
COC(=O)C[C@@H]1CCc2ccccc2C1=O	34091351	JXGWCLZVVXSVRQ-JTQLQIEISA-N	218.252	1.995	0	30	BDAC	
COC(=O)[C@H](C)C(=O)c1cccc(OC)c1	41239404	LSSCMQBWIGBBNW-MRVPVSSYSA-N	222.240	1.687	0	30	BDAC	in-vitro
CCOC(=O)[C@@H](O)c1ccc(OC)c(OC)c1	5857496	TXKORQPSJUQGFY-NSHDSACASA-N	240.255	1.300	0	30	BDAC	
Cc1ccnc2c(S(N)(=O)=O)cccc12	68593564	ZAFJGWOBSVYACM-UHFFFAOYSA-N	222.269	1.191	0	30	BDAC	in-vitro
Cn1cc(Cl)c([C@@H]2NNC(=S)S2)n1	4394808	DDJCOPPVEFHYLM-RXMQYKEDSA-N	234.737	1.198	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](C2CC2)[C@@H]1CN	238128175	WVMKLNFWGDTQHS-MNOVXSKESA-N	240.347	1.981	0	30	BDAC	
CCOP(=O)(OCC)[C@@H](C)C(=O)O	36448785	VQGJFXYTWXPKHV-LURJTMIESA-N	210.166	1.726	0	30	BDAC	
CC(C)(C(=O)O)n1cc(-c2cccnc2)nn1	72159675	RXENIXYMUVTAOJ-UHFFFAOYSA-N	232.243	1.160	0	30	BDAC	
COC(=O)c1nc(Br)c(C)nc1F	72232935	SCNHOQONIZJQHD-UHFFFAOYSA-N	249.039	1.473	0	30	BDAC	
O=C1CC(C(=O)O)(c2ccccc2F)C1	82999576	NJPHILUDRZPXMO-UHFFFAOYSA-N	208.188	1.511	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC(CON)CC1	32015931	WZWFTKHPPATADI-UHFFFAOYSA-N	230.308	1.524	0	30	BDAC	
OC[C@@H]1CC(F)(F)CN1Cc1ccccc1	368419982	PXQLZEMKQFOLDT-NSHDSACASA-N	227.254	1.889	0	30	BDAC	
Cc1ccc(O)c(C2=N[C@@H](C(=O)O)CC2)c1	26015392	NTQBXVPEDYGKKS-SNVBAGLBSA-N	219.240	1.737	0	30	BDAC	
Nc1ccnc2c1cnn2[C@H]1CCCCO1	953080360	BSBALZHONLSTKE-SNVBAGLBSA-N	218.260	1.713	0	30	BDAC	
CC(=O)N[C@]12C[C@H]3C[C@@H](C1)C[C@](C(=O)O)(C3)C2	111919617	XBMPXAYRLNNWET-SCEYYABHSA-N	237.299	1.546	0	30	BDAC	
COc1cccc(OC)c1[C@H](N)CC(=O)O	2387373	GTLCCFJRSKMVDC-SSDOTTSWSA-N	225.244	1.178	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H](CCN)C(F)(F)F	211412557	LVUKWVZZNMFBTD-ZCFIWIBFSA-N	242.241	1.791	0	30	BDAC	
NC[C@@H]1CC(OCc2ccccc2)=NO1	34328699	NVTKDPWDHZNADC-JTQLQIEISA-N	206.245	1.264	0	30	BDAC	
Nc1cc(F)c(N2CCOCC2)cc1F	114005929	OKJDTKMYLKMVCJ-UHFFFAOYSA-N	214.215	1.384	0	30	BDAC	in-vitro
CN[C@H](C)COc1cccc(C(=O)O)c1	2265385784	UMCPCCPZPRZRJJ-MRVPVSSYSA-N	209.245	1.372	0	30	BDAC	
N[C@H](C(=O)O)c1ccc(C(F)(F)F)nc1	95761697	OTYFVHROHJRBME-LURJTMIESA-N	220.150	1.185	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@H](NCCF)C1	217805137	UWXRRSKEKSNZFS-SNVBAGLBSA-N	246.326	1.945	0	30	BDAC	
CCCC1(CC(=O)OCC)OCCO1	22058900	AXNPDRYPXSHROR-UHFFFAOYSA-N	202.250	1.483	0	30	BDAC	in-vitro
CC(C)Oc1ccccc1N1CCNCC1	26001539	QJULELIONYLITF-UHFFFAOYSA-N	220.316	1.883	0	30	BDAC	in-vivo
O=C1C[C@@H](NC(=O)C(F)(F)F)c2ccccc21	95347529	JKTZEXJQDLSNPN-MRVPVSSYSA-N	243.184	1.993	0	30	BDAC	in-vitro
CCOC(=O)CC(=O)c1ncccc1C	43616986	OXBRTZCSNVTDJQ-UHFFFAOYSA-N	207.229	1.526	0	30	BDAC	
Nc1cc2c(cc1CC1CC1)OCCO2	225859958	CYZFTJLXPVQQCI-UHFFFAOYSA-N	205.257	1.993	0	30	BDAC	
O=C1Nc2ccccc2C1=Cc1c[nH]cn1	33384038	VEEGZPWAAPPXRB-UHFFFAOYSA-N	211.224	1.902	0	30	BDAC	
CC(CCOCCCN)CCOCCCN	34064744	YAGKYVUYEIAZDQ-UHFFFAOYSA-N	232.368	1.134	0	30	BDAC	
Cn1nc(-c2ccc(Cl)nc2)cc1N	1536171957	XRAVDXBRFRWUCO-UHFFFAOYSA-N	208.652	1.718	0	30	BDAC	
CCOC(=O)C=Cc1ccc(OC)cc1O	2265326431	XFXBVFUUEWWMFT-UHFFFAOYSA-N	222.240	1.977	0	30	BDAC	
CCC1=C(CC)C(O)=NS(=O)(=O)O1	39101006	DXWICRWUMMDMID-UHFFFAOYSA-N	205.235	1.292	0	30	BDAC	
O=C(O)[C@@H]1CCC[C@@](O)(C(F)(F)F)C1	107470669	QNRPSENATFLRMF-VDTYLAMSSA-N	212.167	1.555	0	30	BDAC	
OCC=C(Br)Br	34751711	NJWKWABVYDUUGH-UHFFFAOYSA-N	215.872	1.610	0	30	BDAC	
Cc1ccc(N2CCNCC2=O)cc1C	70936768	CCQYPNIPUIETRM-UHFFFAOYSA-N	204.273	1.240	0	30	BDAC	
COC(=O)[C@H](N)Cc1cc(Cl)ccc1F	84035152	YQQNBNRRPNLWMG-SECBINFHSA-N	231.654	1.522	0	30	BDAC	
O=C(O)Cc1cc(Cl)c2c(c1)OCO2	86814958	BFNIAKWISLGLGU-UHFFFAOYSA-N	214.604	1.696	0	30	BDAC	
C[C@H](CN)c1ccncc1Br	215754270	JRGPGXISOWSTIU-ZCFIWIBFSA-N	215.094	1.906	0	30	BDAC	
CO[C@H](C)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C	306845419	GRHOLYBGRPTPKR-HTQZYQBOSA-N	247.291	1.389	0	30	BDAC	
Nc1nc(N)c2ccc(C(F)(F)F)cc2n1	5728944	SMQPGMUDOHWETE-UHFFFAOYSA-N	228.177	1.813	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H](Cl)C[C@H]1C(=O)O	206613183	KTIQMTDKFOWAFE-BQBZGAKWSA-N	249.694	1.688	0	30	BDAC	
O=C(N1CCSCC1)C(Cl)(Cl)Cl	140249	OXDZHDPKBAHMLY-UHFFFAOYSA-N	248.562	1.932	0	30	BDAC	
COc1ccc(OC2CCNCC2)cn1	1535825989	UWFVHTBVTKFSOB-UHFFFAOYSA-N	208.261	1.221	0	30	BDAC	
Nc1ccc(NCCO)c(C(F)(F)F)c1	34303402	CPAYSTWHLBHZBZ-UHFFFAOYSA-N	220.194	1.692	0	30	BDAC	
Oc1cc(Br)c2c(c1)CCNC2	223355510	TUZCESPUENIGOB-UHFFFAOYSA-N	228.089	1.800	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H](CN)OC(C)(C)C	142503256	RJBWGLKVGYQMTI-MRVPVSSYSA-N	217.309	1.471	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]2[C@H]1CN	258224825	LYNFEJDBRSBOFH-IVZWLZJFSA-N	226.320	1.591	0	30	BDAC	
Cn1c(C(=O)O)nnc1-c1ccccc1	75852126	UPWQMWYEKFQIGO-UHFFFAOYSA-N	203.201	1.180	0	30	BDAC	in-vitro
O=C(O)[C@@H]1CNC[C@@H](c2ccccc2)C1	82162640	XORGFPVZKXBBJZ-QWRGUYRKSA-N	205.257	1.464	0	30	BDAC	
NCCCN(CCCN)C1CCCCC1	31391401	BQUQUASUHNZZLS-UHFFFAOYSA-N	213.369	1.319	0	30	BDAC	
O=C(O)C(F)(F)c1ccc2c(c1)OCO2	31829517	BKBSQDACROKTCS-UHFFFAOYSA-N	216.139	1.592	0	30	BDAC	
c1ccc(-c2nc3n(n2)CCNC3)cc1	26894612	DHOATNFQIOPTRD-UHFFFAOYSA-N	200.245	1.048	0	30	BDAC	
Nc1cccc(C(=O)N2CCCC2)c1O	91351566	LIJGLNSBRKUJGF-UHFFFAOYSA-N	206.245	1.210	0	30	BDAC	in-vitro
Cc1cc2scnc2cc1NC(=N)N	10110	PKXRZQBQZQEVCH-UHFFFAOYSA-N	206.274	1.910	0	30	BDAC	
CCOC(=O)N1CCC2(CC1)CC(=O)[C@@H](C)O2	1433157	MJSGPUXKCNLSHS-SECBINFHSA-N	241.287	1.355	0	30	BDAC	
O=C(O)C[C@H](O)c1cnc(Cl)s1	306157153	JDHSSHGXWHLOKD-VKHMYHEASA-N	207.638	1.305	0	30	BDAC	
CCN(CC)C(=O)[C@@]1(CC)CCCNC1	62851663	LOLXKXQWUHCARV-LBPRGKRZSA-N	212.337	1.635	0	30	BDAC	
CC(C)(C)OCCCN1CCNCC1	221303434	QZOIYLJCIJRNLV-UHFFFAOYSA-N	200.326	1.097	0	30	BDAC	
Brc1ccc(C2CNC2)cn1	238000560	OYSILEZLEKEGMV-UHFFFAOYSA-N	213.078	1.531	0	30	BDAC	
Nc1ccc(-c2n[nH]c3c2COCC3)cc1	725343553	HWMPTEYWRBLHLJ-UHFFFAOYSA-N	215.256	1.732	0	30	BDAC	
CCC#CC[C@H]1C(=O)CC[C@@H]1CC(=O)OC	32147047	CZGQTUNUVWDHBM-GHMZBOCLSA-N	222.284	1.948	0	30	BDAC	
COC(=O)N1[C@@H]2CCCCC[C@H]2OS1(=O)=O	2265351718	IWRMUFAAYNSYSN-HTQZYQBOSA-N	249.288	1.031	0	30	BDAC	
C[C@@]1(Cl)N=C(c2ccccc2)OC1=O	39140083	UXTQWXFTMHUGOQ-SNVBAGLBSA-N	209.632	1.945	0	30	BDAC	
NC(=O)COc1nsc2ccccc12	34091444	RVOTWSQZXVMKPD-UHFFFAOYSA-N	208.242	1.160	0	30	BDAC	
CCOC(=O)CS(=O)(=O)c1ccc(F)cc1	20431266	ZOZQJVHKZQINSS-UHFFFAOYSA-N	246.259	1.163	0	30	BDAC	
COC(=O)C(=O)Cc1ccccc1Cl	32012714	JTIINAQJJSFDDW-UHFFFAOYSA-N	212.632	1.625	0	30	BDAC	
Nc1cc(-c2ccccc2F)nc(N)n1	44263015	SPERCDSMZLVXNM-UHFFFAOYSA-N	204.208	1.447	0	30	BDAC	in-vitro
CCOC(=O)c1noc(N)c1Br	259726023	QKZASPSCKIFIPF-UHFFFAOYSA-N	235.037	1.196	0	30	BDAC	
Brc1cn(C2CCOCC2)cn1	72193481	GKRHVNPCXXWYJO-UHFFFAOYSA-N	231.093	1.997	0	30	BDAC	
C=C(Br)S(=O)(=O)C(F)(F)F	685939302	LHSATIDRWFHKJE-UHFFFAOYSA-N	239.012	1.787	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2C[C@H](N)[C@H]21	585140077	LKFGPMRVNCQJHB-CIUDSAMLSA-N	212.293	1.343	0	30	BDAC	
Nc1nc2nccc(Br)c2o1	584880019	HMIGCYYVWLXIGN-UHFFFAOYSA-N	214.022	1.568	0	30	BDAC	
CC(=O)N1C[C@]2(C[C@@H]3O[C@@H]3C2)[C@H]1C(C)C	669371678	PPDQDCUQEYLFEM-KXNHARMFSA-N	209.289	1.421	0	30	BDAC	
COc1cc(OC)c2ccc(=O)oc2c1CO	14611156	FAMKZZUKJPKMBR-UHFFFAOYSA-N	236.223	1.303	0	30	BDAC	biogenic
CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](N)[C@H]21	756957835	DMBGWVCELMTFCO-UTLUCORTSA-N	226.320	1.733	0	30	BDAC	
Cc1cccc2c1ccn2[C@H]1C[C@H](O)[C@@H](CO)O1	44171546	CHXZVEGQPNGWDG-BFHYXJOUSA-N	247.294	1.590	0	30	BDAC	
O=C1NCCN[C@H]1c1ccc(C(F)(F)F)cc1	51924898	RKKAPCSDNLGCTJ-VIFPVBQESA-N	244.216	1.466	0	30	BDAC	
COC(=O)c1cc(O[C@H]2CCOC2)ccc1N	113145426	HFZXDHVAYQCRJE-VIFPVBQESA-N	237.255	1.223	0	30	BDAC	
CC[C@@H]1CC[C@@H](CO)N2C(=O)CCC[C@@H]12	38302104	JZXYZSCSESZFNJ-VWYCJHECSA-N	211.305	1.548	0	30	BDAC	
CN(CC(C)(C)CN)C(=O)OC(C)(C)C	219565119	WQNMLZIEJQYZIY-UHFFFAOYSA-N	216.325	1.838	0	30	BDAC	
NCc1cc2c(cc1OC(F)F)OCO2	42873607	QZBWZAYAYBGFNJ-UHFFFAOYSA-N	217.171	1.475	0	30	BDAC	in-vitro
C[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	148703932	YISREGIVFNMYSB-IUCAKERBSA-N	231.292	1.003	0	30	BDAC	
CCC#CC[C@@H]1C(=O)CC[C@@H]1CC(=O)OC	32147053	CZGQTUNUVWDHBM-MNOVXSKESA-N	222.284	1.948	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@]2(N)CCC[C@@H]12	238107828	TUBKTTUXJKGATN-SKDRFNHKSA-N	226.320	1.877	0	30	BDAC	in-vitro
COc1cc2ccc(N)nc2cc1OC	70055160	CEHIZHJVEUNKPQ-UHFFFAOYSA-N	204.229	1.834	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)NCC1CC(=CC(=O)O)C1	950757415	ANXAVNGTBLDIEC-UHFFFAOYSA-N	241.287	1.932	0	30	BDAC	
CSc1cc(C(N)=O)cc(Br)n1	2524952	NGKMNMOUTQIQRF-UHFFFAOYSA-N	247.117	1.665	0	30	BDAC	
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)C[C@H]1O	253485972	STBOUGNAXSXNBH-BIIVOSGPSA-N	201.266	1.280	0	30	BDAC	
CCOC1(OCC)CC[C@@H]1/C=C/CO	39098927	KIOXMAVHGXJEHQ-PORFMDCZSA-N	200.278	1.714	0	30	BDAC	
O=c1[nH]cnc2c(Br)scc12	59641898	WDJANHNOGLGFJK-UHFFFAOYSA-N	231.074	1.747	0	30	BDAC	
CN(C)C=C1COc2ccccc2C1=O	4060905	GMSGZAPXOBAWPT-UHFFFAOYSA-N	203.241	1.707	0	30	BDAC	
CSc1n[nH]c(=O)n1C1CCCCC1	13657929	VARHIWBBLKGVTJ-UHFFFAOYSA-N	213.306	1.799	0	30	BDAC	
CC[C@@H](C)n1[nH]cc2c(C)cc(=O)nc1-2	136121810	SDUHJXTYISLPBM-MRVPVSSYSA-N	205.261	1.956	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2CCCN[C@@H]2C1	82327501	ZWEWOQJWNGDMHO-WDEREUQCSA-N	240.347	1.995	0	30	BDAC	
C[C@]1(c2cccs2)OC[C@@H](CO)O1	2037905	HOANEJPRHBZMAR-APPZFPTMSA-N	200.259	1.329	0	30	BDAC	
CCOC(OCC)c1n[nH]c(=S)n1C	88613814	XFDRIWPFGHMLIS-UHFFFAOYSA-N	217.294	1.549	0	30	BDAC	in-vitro
O=C(NC[C@H](O)c1ccccc1)c1ccco1	152716	UIBMEPSWHYDQJT-NSHDSACASA-N	231.251	1.743	0	30	BDAC	
NS(=O)(=O)c1cc(Cl)cc2cccnc12	36984589	FQKQVVURFLWAAI-UHFFFAOYSA-N	242.687	1.536	0	30	BDAC	
C[C@H](N)[C@@H](O)Cc1cccc(Br)c1	96985929	SEWGHWTYHOOGIV-XVKPBYJWSA-N	244.132	1.700	0	30	BDAC	
CCOc1cc(C(=O)OC)c(N)cc1F	50034192	OWCWERBVVZIGLB-UHFFFAOYSA-N	213.208	1.593	0	30	BDAC	
Nc1cc2c(cc1Br)CN(C=O)C2	68591514	WTQZAXFFWGTIMU-UHFFFAOYSA-N	241.088	1.503	0	30	BDAC	
CC(C)(C)OC(=O)N[C@]1(C)C[C@@H]2CC[C@H]1N2	1384380915	ZWPWUBQASYMSSD-YGOYTEALSA-N	226.320	1.794	0	30	BDAC	
c1cc2c(cc1N1CCNCC1)CCC2	37483265	VXPXJJPLCBBUBU-UHFFFAOYSA-N	202.301	1.585	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)NC[C@H]1CC(=O)CCO1	1535639534	MBEZHMVGIDYIBE-SECBINFHSA-N	229.276	1.259	0	30	BDAC	
CCc1cnc(N2CCC(=O)CC2)nc1	96675170	KLCSEFGJARHHPI-UHFFFAOYSA-N	205.261	1.208	0	30	BDAC	
COc1ccc(C(F)(F)CO)cc1F	258990813	LEPZEUFVTIAKEK-UHFFFAOYSA-N	206.163	1.918	0	30	BDAC	
C[C@@H](N)c1ccc(CS(C)(=O)=O)cc1	258013922	IMEDJUXWRMGYTF-MRVPVSSYSA-N	213.302	1.251	0	30	BDAC	
C[C@H](N)CCN(C)C(=O)OC(C)(C)C	141149418	QYTUTPWBOBZEPQ-QMMMGPOBSA-N	202.298	1.591	0	30	BDAC	
O=C1CCCC(=O)N1c1ccc(F)cc1	3119525	PVZUDKUKQHFENH-UHFFFAOYSA-N	207.204	1.869	0	30	BDAC	
CCOC(=O)[C@H]1CCOc2ccccc2C1=O	34570872	LTHIQXWICUIQFY-JTQLQIEISA-N	234.251	1.831	0	30	BDAC	
CN1C(=N)N(c2ccc(Cl)cc2)CC1=O	1170	TUQAUZURSHKTFF-UHFFFAOYSA-N	223.663	1.553	0	30	BDAC	in-man
CCOP1(=O)OCC(C)(CO)CO1	39099751	FJYAWKRVWGCEHO-UHFFFAOYSA-N	210.166	1.176	0	30	BDAC	
CC(C)(C)OC(=O)NOCCCC(=O)O	39094218	IECBBAQNKNZSNK-UHFFFAOYSA-N	219.237	1.308	0	30	BDAC	
N[C@H]1CCCN(c2ccccc2F)C1=O	70061672	NSKQPLABNAZJKP-VIFPVBQESA-N	208.236	1.280	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1CO	84314370	NENLUIYSIMOZOY-VHSXEESVSA-N	229.320	1.920	0	30	BDAC	
C[C@@H]1CC(C)(C)OB(OCCN(C)C)O1	196320324	LKXYXQANXGBLOX-SECBINFHSA-N	215.102	1.154	0	30	BDAC	
O=[S@@](O)c1ncccc1C(F)(F)F	204715276	VZSRRSMIRMQBPG-UHFFFAOYSA-N	211.164	1.681	0	30	BDAC	
CC(C)NC[C@H](O)COc1ccc(NO)cc1	33902519	UCGFOKKVSOLRAB-NSHDSACASA-N	240.303	1.225	0	30	BDAC	
Cc1c(N)nnn1Cc1cccc(F)c1	86491886	QHJONNOLTFPTLY-UHFFFAOYSA-N	206.224	1.356	0	30	BDAC	in-vitro
CCOC(=O)CCc1cnccc1C(=O)O	2265383731	YHCFADVTHQXPAJ-UHFFFAOYSA-N	223.228	1.276	0	30	BDAC	
c1ccc2c3c([nH]c2c1)C1(CCNCC1)NCC3	156252	QSXMLEPSIAKXGA-UHFFFAOYSA-N	241.338	1.892	0	30	BDAC	
CCOC(=O)c1cc(=O)c2cc(N)ccc2o1	32256557	XSTYSJKKDXUYRM-UHFFFAOYSA-N	233.223	1.552	0	30	BDAC	
NC[C@H](NCc1ccccc1)C(F)(F)F	34620057	ZVQBRWKRJPPJQF-VIFPVBQESA-N	218.222	1.666	0	30	BDAC	
COCC1(C(=O)OC(C)(C)C)CCNCC1	314012487	FZMWXAYMGPWEJC-UHFFFAOYSA-N	229.320	1.344	0	30	BDAC	
CCc1nn(C)c(CC(=O)O)c1Cl	84281197	SPIGVPPRVVQZMA-UHFFFAOYSA-N	202.641	1.263	0	30	BDAC	
COc1cc(C(=O)O)c2cnccc2c1	709623861	UCTBSDPTGBFNIC-UHFFFAOYSA-N	203.197	1.942	0	30	BDAC	
CCn1cc(N[C@H](C)[C@@H]2CCCN2)cn1	400369038	GGSSNQUCESFWSA-KOLCDFICSA-N	208.309	1.455	0	30	BDAC	
COC(=O)N(C)CC1CCN(C)CC1	122485778	KVBSGZKBTRZISN-UHFFFAOYSA-N	200.282	1.026	0	30	BDAC	
O=C(O)c1nc2n(c1Br)CCC2	212252060	WWWNQHSOXIFOKJ-UHFFFAOYSA-N	231.049	1.290	0	30	BDAC	
O=C(OCc1ccccc1)N1C[C@H]2C[C@@H]1CO2	146928657	AFSUTCDGMZZMFA-VXGBXAGGSA-N	233.267	1.796	0	30	BDAC	
COC(=O)[C@@]1(c2ccc(OC)cc2)CCNC1	260426602	DILSRMYBSJBQLR-ZDUSSCGKSA-N	235.283	1.099	0	30	BDAC	
C[C@H](O)c1c(F)cccc1N1CCOCC1	35631066	XGXUERMNJRXEOM-VIFPVBQESA-N	225.263	1.716	0	30	BDAC	
CC1=CC(=O)N(c2ccc(F)c(F)c2)C1=O	97874	UKSADOPZAYLPBH-UHFFFAOYSA-N	223.178	1.784	0	30	BDAC	
NC[C@H](O)Cc1ccccc1Br	71534510	VOLLTUANSVUHHX-MRVPVSSYSA-N	230.105	1.311	0	30	BDAC	
CC(=O)c1c(C)oc(C)c(C(C)=O)c1=O	96336219	XFJIXARLDYKCPG-UHFFFAOYSA-N	208.213	1.662	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H](C(=O)O)C(F)F	95774703	RBBANSRZYXHAHO-BYPYZUCNSA-N	225.191	1.229	0	30	BDAC	
CSc1ccccc1Nc1ncnc(N)n1	89351	HMSMGQJBLLBXRX-UHFFFAOYSA-N	233.300	1.919	0	30	BDAC	
COc1nc(C(=O)Nc2ccccc2)c(C)[nH]1	22000969	NEBDNCAHALUEFK-UHFFFAOYSA-N	231.255	1.979	0	30	BDAC	
Cn1cc([C@@H]2CCCN2)c(C(F)(F)F)n1	83303091	NZKNRWRTXHTSEP-ZETCQYMHSA-N	219.210	1.863	0	30	BDAC	
O=C1NCCN[C@H]1c1cccc(C2CC2)c1	87013346	OTMXRFSCWGNHGE-LBPRGKRZSA-N	216.284	1.325	0	30	BDAC	
COC(=O)C[C@@H](N)COCc1ccccc1	90512956	ADCAWILRZRUZIT-LLVKDONJSA-N	223.272	1.094	0	30	BDAC	
OC1CN(c2cccc(Br)c2)C1	211667347	PLEZLMVSHBXGFT-UHFFFAOYSA-N	228.089	1.630	0	30	BDAC	
CC(C)(C)Oc1ncccc1[S@](=O)O	958528976	CPAIYHRNCJYDMD-UHFFFAOYSA-N	215.274	1.840	0	30	BDAC	
CCOC(=O)c1ncn2c(C(=O)O)cccc12	260412406	LXMZUUFAHFRLOX-UHFFFAOYSA-N	234.211	1.209	0	30	BDAC	
CC[C@@]1(c2ccccc2)C(=O)N(C)C(=O)N1C	22063300	UOKWEFNDJRRNST-CYBMUJFWSA-N	232.283	1.816	0	30	BDAC	in-vitro
Nc1c(O)c2cccc3c2n(c1=O)CCC3	100251651	NWIFFZSUILYQRT-UHFFFAOYSA-N	216.240	1.236	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1C1CC1	140365258	RYNAGLMDQOVNMK-VHSXEESVSA-N	226.320	1.509	0	30	BDAC	
CC(C)(C)OC(=O)N1CC([C@@H]2C[C@H]2N)C1	306439554	JQIVGVPAYOAPKN-DTWKUNHWSA-N	212.293	1.201	0	30	BDAC	
OCc1cc(Br)cc(Cl)n1	71250739	RQPGWQOUQRIDKY-UHFFFAOYSA-N	222.469	1.990	0	30	BDAC	
O=S1(=O)Cc2c(Cl)cccc2N1	38540474	LONQJZGBWSEYGO-UHFFFAOYSA-N	203.650	1.595	0	30	BDAC	
CCn1nnc2ccc(C(=O)OC)cc21	39101045	RLVJPDLURARQKS-UHFFFAOYSA-N	205.217	1.238	0	30	BDAC	
COCC[C@@H]1CN(Cc2ccccc2)CCN1	138574554	UVHARNUKHWZUBV-CQSZACIVSA-N	234.343	1.497	0	30	BDAC	
CSc1nc(OC(C)C)c2nnn(C)c2n1	2265351247	ORNGADBDYUHYAH-UHFFFAOYSA-N	239.304	1.267	0	30	BDAC	
COc1c(C(=O)O)sc(C(=O)O)c1OC	133019	VJPALIAORYSTKL-UHFFFAOYSA-N	232.213	1.162	0	30	BDAC	
NC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21	285219015	XHKRYPHYFLZZIA-UPJWGTAASA-N	246.310	1.570	0	30	BDAC	
O=C(O)c1cc(Br)ns1	83287535	FQPJKCJBAFOREG-UHFFFAOYSA-N	208.036	1.604	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CN	238130537	XKZNMNKZDDJEEL-YIZRAAEISA-N	212.293	1.201	0	30	BDAC	
CN(CC(=O)OC(C)(C)C)[C@H]1CCCNCC1	97139132	GZLPZZYPLDOIBC-NSHDSACASA-N	242.363	1.402	0	30	BDAC	
Nc1n[nH]c2nc(Cl)nc(Cl)c12	299889188	FSJYBPCATAMSGW-UHFFFAOYSA-N	204.020	1.242	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(C(=O)O)C[C@H]12	307542371	ZDKMDPPQMCOHEX-RWYTXXIDSA-N	241.287	1.764	0	30	BDAC	
CN1C(=O)[C@@H](N)c2ccc(Br)cc21	37052458	CEWACLUGGBAFRP-QMMMGPOBSA-N	241.088	1.425	0	30	BDAC	
O=C1CC[C@@H](C(=O)OC2CCCCC2)N1	34212820	RFWITBCYXRUGIY-VIFPVBQESA-N	211.261	1.141	0	30	BDAC	
CN[C@H]1CCCCN1C(=O)OC(C)(C)C	72194409	SREOWIJUADGCQP-SECBINFHSA-N	214.309	1.953	0	30	BDAC	
CC(C)(C)OC(=O)C1CC(C)(C(=O)O)C1	950757221	IFAGPUJTBGVORN-UHFFFAOYSA-N	214.261	1.829	0	30	BDAC	
Cc1cc(=O)cc(C)n1NC(=O)c1cccnc1	150837	WTEAADZARQVFLE-UHFFFAOYSA-N	243.266	1.244	0	30	BDAC	
Cn1nccc1NC(=O)CC(C)(C)CC(=O)O	153151	QTBBVCSYFYNYIK-UHFFFAOYSA-N	239.275	1.250	0	30	BDAC	
COC(=O)[C@H](N)Cc1c[nH]c2cccc(F)c12	44909635	ZIYNPXVEKXATPA-SECBINFHSA-N	236.246	1.350	0	30	BDAC	
C[C@@H]1[C@@H](O)C[C@H]1NC(=O)OC(C)(C)C	214301149	STBOUGNAXSXNBH-RNJXMRFFSA-N	201.266	1.280	0	30	BDAC	
Cn1cc(COc2ccccc2)nc1C(=O)O	258270949	SNXXXSZVGVJMOA-UHFFFAOYSA-N	232.239	1.697	0	30	BDAC	
COC(=O)c1cocc2c(C(=O)O)ccc1-2	13385049	KDGWNSIWYWYPGB-UHFFFAOYSA-N	220.180	1.869	0	30	BDAC	biogenic
CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](O)CC1	39093751	YOSDSNLBVMRZSO-DTWKUNHWSA-N	213.277	1.591	0	30	BDAC	
C[C@H](C(=O)O)c1cc2ccccc2[nH]c1=O	140955834	KHSAHVMWMVKEIN-ZETCQYMHSA-N	217.224	1.716	0	30	BDAC	
CCN[C@H](CCc1ccccc1)C(=O)O	61625415	SKFVUIGJNWPKMX-LLVKDONJSA-N	207.273	1.682	0	30	BDAC	
Cc1cc2cc(S(=O)(=O)O)ccc2[nH]1	6070481	OOHJCZBVOJRQOV-UHFFFAOYSA-N	211.242	1.723	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2CNC[C@H]1C2	100647932	UJWJTHBFPHYTKH-NXEZZACHSA-N	226.320	1.605	0	30	BDAC	
COC(=O)[C@H](C)C[SiH2]C(Cl)Cl	201151446	AWONIWSSMNWIBX-SCSAIBSYSA-N	215.152	1.144	0	30	BDAC	
O=C(O)Cc1ccc(-n2ccnc2)cc1	44374432	FYRATTIKCDNVTJ-UHFFFAOYSA-N	202.213	1.499	0	30	BDAC	
O=C(O)C(=O)c1ccc(Cl)cc1O	257978015	AEDTYDBFQMPGDL-UHFFFAOYSA-N	200.577	1.313	0	30	BDAC	
Cc1cnc(Br)c(CO)c1	216566506	FYOZUKKPIUNFLJ-UHFFFAOYSA-N	202.051	1.645	0	30	BDAC	
CN1CCN(c2cc(F)cc(CN)c2)CC1	227586164	XYTRDNFWXDWILO-UHFFFAOYSA-N	223.295	1.036	0	30	BDAC	
COC(=O)c1cc2oc(C=O)cc2n1C	5177792	VUQKFEPTRLQDRG-UHFFFAOYSA-N	207.185	1.370	0	30	BDAC	in-vitro
OCCCc1cn(-c2ccccc2)nn1	72155243	LSSAEXJEKWGWDB-UHFFFAOYSA-N	203.245	1.192	0	30	BDAC	
C[C@@H]1CNC[C@]1(CC(=O)OC(C)(C)C)C(=O)O	145850695	AYESCXPKJQDVGF-PELKAZGASA-N	243.303	1.029	0	30	BDAC	
C[S@@](=O)Cc1ccc(C(C)(C)CO)cc1	2265351762	RHZMXYHPEMYMJP-OAHLLOKOSA-N	226.341	1.835	0	30	BDAC	
CCOC(=O)Cn1cc(Cl)ccc1=O	129388	HHPPBWONVBGMFA-UHFFFAOYSA-N	215.636	1.065	0	30	BDAC	
N=C(NC(=O)N1CCOCC1)c1ccccc1	20230411	BVWZEGZPAYJREL-UHFFFAOYSA-N	233.271	1.054	0	30	BDAC	
COc1cccc(CNCC2(C)COC2)n1	87197478	NBINZIQBRJSRCS-UHFFFAOYSA-N	222.288	1.216	0	30	BDAC	in-vitro
COC(=O)c1csc(CC(=O)O)c1	118654275	BMMLBQRNPHKSEY-UHFFFAOYSA-N	200.215	1.162	0	30	BDAC	
CC(C)c1cnc(Cl)nc1N1CCNCC1	1535645734	HSPPAVKUJVQUDJ-UHFFFAOYSA-N	240.738	1.663	0	30	BDAC	
CCc1csc2nc3c(N)ncnc3n12	223687372	IHGPNHSZYIZFJS-UHFFFAOYSA-N	219.273	1.484	0	30	BDAC	
CC(C)C[C@@H]1C[C@@](C)(C(=O)O)OC1=O	238158915	JXXZNVBUQDPAPM-XCBNKYQSSA-N	200.234	1.439	0	30	BDAC	
Cc1cccc(C)c1C(=O)NCC(=O)O	2529294	ADLYGBUJXQJDTF-UHFFFAOYSA-N	207.229	1.118	0	30	BDAC	
CSc1nc(C)c(CC2CC2)c(=O)[nH]1	18156560	DQICECLAVWIYHT-UHFFFAOYSA-N	210.302	1.753	0	30	BDAC	
CC(=O)Nc1cc(O)cc(NC(C)=O)c1C	39124219	POLDZPWAHFPZJJ-UHFFFAOYSA-N	222.244	1.617	0	30	BDAC	
COc1ccc(Br)c(NN)c1	83869026	NPLVBTBCVJMPHI-UHFFFAOYSA-N	217.066	1.743	0	30	BDAC	
O=C(O)[C@@H]1CS[C@@H](C=Cc2ccccc2)N1	2265235830	AVCZCIMDECJOPA-QWRGUYRKSA-N	235.308	1.816	0	30	BDAC	
COc1ccc(-c2cncnc2N)cc1	26465690	BLDMRAMXEAPKEG-UHFFFAOYSA-N	201.229	1.734	0	30	BDAC	in-vitro
CCOC(=O)[C@@H]1CCC[C@H]1C(=O)OCC	33610312	YLRALQSVMCXBSD-RKDXNWHRSA-N	214.261	1.529	0	30	BDAC	
Cn1nc(C2CCOCC2)cc1C(=O)O	84476656	NIVCBAJXLAUGAC-UHFFFAOYSA-N	210.233	1.012	0	30	BDAC	
Brc1cnc2c(c1)COCC2	95761495	CDDWBPZPCMZPOT-UHFFFAOYSA-N	214.062	1.917	0	30	BDAC	
Cc1cc(Br)cc(CC(=O)O)n1	95767274	IVAVULBBXFBBCW-UHFFFAOYSA-N	230.061	1.780	0	30	BDAC	
CN(C)CCCNc1cc(F)ccc1N	52119322	OLEFILCNQXIIRO-UHFFFAOYSA-N	211.284	1.772	0	30	BDAC	
COCN1C(=O)CCc2cc(N)ccc21	83748884	JTKJHDMIRYWTAS-UHFFFAOYSA-N	206.245	1.152	0	30	BDAC	in-vitro
O=C(O)COc1ccc(Cl)c([N+](=O)[O-])c1	149372542	NNDWXLRSQALFKC-UHFFFAOYSA-N	231.591	1.712	0	30	BDAC	
CNCc1ccccc1CN1CCOCC1	20230880	JDNFUXILVHKZKU-UHFFFAOYSA-N	220.316	1.238	0	30	BDAC	
C/C=C1/CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O	34591383	AIKIEXQKLGYANF-TVSKSKRASA-N	227.260	1.637	0	30	BDAC	
COC(=O)[C@@H](N)Cc1c(C)cc(C)cc1O	44334162	CLRSZVWSTFJKSE-JTQLQIEISA-N	223.272	1.052	0	30	BDAC	
NCCCOCCCOCc1ccccc1	306382602	BDJLVNYVAIYYHC-UHFFFAOYSA-N	223.316	1.959	0	30	BDAC	
CC(C)(C)OC(=O)Nc1cc(C(=O)O)on1	257741984	BOIQGYGLYIDBED-UHFFFAOYSA-N	228.204	1.720	0	30	BDAC	
COc1ccc(F)c(CC(C(=O)O)C(=O)O)c1	2505408	JCWFERLHIZDKFG-UHFFFAOYSA-N	242.202	1.162	0	30	BDAC	
C[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O	96330627	ZZQKEINORXICEN-BDAKNGLRSA-N	243.303	1.193	0	30	BDAC	
CCOC(=O)C(F)(F)c1ccc(F)cn1	113230575	YPWORDDMSCLNSH-UHFFFAOYSA-N	219.162	1.876	0	30	BDAC	
CC1(C)COC2(C[C@@H]3C[C@H](O)C[C@@H]3C2)OC1	313255446	YZUJXJRMZBEVIL-JGPRNRPPSA-N	226.316	1.937	0	30	BDAC	
CC(=O)OC[C@H]1CCCC12OCCO2	36456295	AGUJYZXXWTXYDJ-SECBINFHSA-N	200.234	1.093	0	30	BDAC	
CC(C)(C)OC(=O)[C@H](N)c1ccc(O)cc1	137803498	CJPJHVFZFGDVBV-SNVBAGLBSA-N	223.272	1.734	0	30	BDAC	
COc1ncc(Cl)c(Br)n1	87799077	KNADRTBDLIZYKY-UHFFFAOYSA-N	223.457	1.901	0	30	BDAC	
CCOC(=O)/C(F)=C\CNC(=O)OC(C)(C)C	201032657	GNJNXPKOEFOWLW-SOFGYWHQSA-N	247.266	1.928	0	30	BDAC	
Cn1c(=O)ccc2ccc(C(=O)O)cc21	575441935	IKTLFRROSGWJID-UHFFFAOYSA-N	203.197	1.237	0	30	BDAC	
COc1cc(Br)nc2c1OCO2	2265352113	QWERAFGPDSOWOF-UHFFFAOYSA-N	232.033	1.581	0	30	BDAC	
CC(C)(CC(=O)O)[C@@H](CCC(=O)O)C(=O)O	2145452	SRXBEKYXSVLAPC-LURJTMIESA-N	232.232	1.053	0	30	BDAC	
COc1cc(O)c(C)c2c1[C@@H](O)O[C@@H](C)C2	13460331	CWGRMEHTZDTNRX-QTTZVWFDSA-N	224.256	1.661	0	30	BDAC	
CS(=O)(=O)Nc1ccc(NCC2CC2)cc1	37077093	NIOGJNFCTRWEJG-UHFFFAOYSA-N	240.328	1.880	0	30	BDAC	
CCOC(=O)C[C@@H](N)c1cc(F)cc(F)c1	2540657	HTVUQUATLOWFDK-SNVBAGLBSA-N	229.226	1.918	0	30	BDAC	
COC(=O)C(Br)=C1CCOCC1	1535542702	KZQYTFHFPACUIB-UHFFFAOYSA-N	235.077	1.619	0	30	BDAC	
CC(=O)Nc1nc2c(O)cccc2s1	32190728	HUTRTAUAQNIHBN-UHFFFAOYSA-N	208.242	1.960	0	30	BDAC	
COc1ccc2c(c1)[C@H](N)[C@@H](OC)CC2	86119294	GLKZLMXELQFUOC-RYUDHWBXSA-N	207.273	1.656	0	30	BDAC	
CCOC(=O)c1[nH]c(=O)c(C(C)C)nc1C	45809284	ARVJNSXERFBHHI-UHFFFAOYSA-N	224.260	1.378	0	30	BDAC	
O=C(O)c1csnc1Br	238699272	OYMUVNBHIUQXJX-UHFFFAOYSA-N	208.036	1.604	0	30	BDAC	
CC(C)(C)OC(=O)NC1CC(CCO)C1	584613106	AVNQRUFNRJKGCT-UHFFFAOYSA-N	215.293	1.672	0	30	BDAC	
CCOC(=O)c1cn2cc(N)c(C)cc2n1	34361357	FGSUTBZSLCNLHE-UHFFFAOYSA-N	219.244	1.402	0	30	BDAC	
O=C(O)c1c[nH]c(-c2ccc(F)cc2)n1	20444938	NNVJDFUCERARAF-UHFFFAOYSA-N	206.176	1.914	0	30	BDAC	
CO[C@H]1C[C@@H](CO)N(C(=O)OC(C)(C)C)C1	116590987	ZYVBYRKLECISLP-IUCAKERBSA-N	231.292	1.003	0	30	BDAC	
CN1CCCN(c2ccccc2C=O)CC1	12370642	IWGWGWJWXSGXKV-UHFFFAOYSA-N	218.300	1.641	0	30	BDAC	
COc1ccc2c(c1)NC[C@H]2CC(=O)O	35569852	IEDZUUGUFWYMHU-SSDOTTSWSA-N	207.229	1.679	0	30	BDAC	
Nc1ccc(-c2nncn2-c2ccccc2)cn1	63216374	XIUGXHSDZUNYKP-UHFFFAOYSA-N	237.266	1.912	0	30	BDAC	in-vitro
CCO[C@@H]1CNC[C@H]1CNC(=O)OC(C)(C)C	307312358	GNORXHTXMBLWJX-VHSXEESVSA-N	244.335	1.136	0	30	BDAC	
NCC12CC(Cc3ccccc3)(CO1)C2	1554770593	IENOGWFJMYSHRE-UHFFFAOYSA-N	203.285	1.737	0	30	BDAC	
O=S1(=O)CC[C@@H](c2ccccc2)CN1	204713100	OGBBONRSZJOJCB-SNVBAGLBSA-N	211.286	1.093	0	30	BDAC	
CCCCOC(=O)CN(C)C(=O)C(F)(F)F	32179418	HFRYGKNHBRPVJP-UHFFFAOYSA-N	241.209	1.350	0	30	BDAC	
N[C@](CF)(Cc1c[nH]c2ccccc12)C(=O)O	6117678	BZEQVHKJCVLJMC-LBPRGKRZSA-N	236.246	1.462	0	30	BDAC	in-vitro
CNC[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12	145845256	HKKPSGWPBRWNCE-OWUUHHOZSA-N	226.320	1.319	0	30	BDAC	
O=C(O)[C@H]1[C@H]2CCC[C@@H](CC2)[C@@H]1C(=O)O	247413682	PXKSVNOELLJRND-JBDRJPRFSA-N	212.245	1.598	0	30	BDAC	
NCc1cccc(-c2ccc3c(c2)OCCO3)n1	259231162	PDKNNQRSEHWGHR-UHFFFAOYSA-N	242.278	1.979	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@]12CC[C@@H](C[C@@H]1N)C2	757215668	WONVKJXCDMWUQZ-HOTUBEGUSA-N	226.320	1.781	0	30	BDAC	
COc1ccc2nc(C(=O)O)c(C(=O)O)cc2c1	32099218	XHNRULRQAVVDBH-UHFFFAOYSA-N	247.206	1.640	0	30	BDAC	
C1CC[C@H]2OCCOCCOCCO[C@H]2C1	4262180	ILCAEFFUYHJPAL-TXEJJXNPSA-N	230.304	1.378	0	30	BDAC	
CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CNC2	105641716	IOJANHDPMBVRLJ-SKDRFNHKSA-N	226.320	1.653	0	30	BDAC	
C[C@@H]1N[C@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C	307526739	IPQYEIDFNYVNKF-UTLUCORTSA-N	228.336	1.992	0	30	BDAC	
CCOC(=O)[C@@H](F)SC(=S)OCC	34633017	BORPAFBPTFAEQP-YFKPBYRVSA-N	226.294	1.900	0	30	BDAC	in-vitro
CCOC(=O)N1CC(=O)c2sccc2C1	396163152	RCFSYLRJMJJWIA-UHFFFAOYSA-N	225.269	1.903	0	30	BDAC	
O=C(O)c1noc(Cc2ccccc2F)n1	71047798	LIZKCXIDMCZIDC-UHFFFAOYSA-N	222.175	1.498	0	30	BDAC	in-vitro
NC(=S)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@@H]12	100242852	DHWGVLNGJNHMLY-GRDBIXFFSA-N	208.330	1.420	0	30	BDAC	
CCOc1c(C)[nH]c(C(=O)OC)c1C=O	39169500	YEJNZXCXQQDDNF-UHFFFAOYSA-N	211.217	1.321	0	30	BDAC	
OCC[C@H]1CC1(Br)Br	196478054	MBATZDRKFBSYHJ-BYPYZUCNSA-N	243.926	1.875	0	30	BDAC	
Cc1nc(Br)n(C2CCNCC2)n1	1554713293	ZQRIEOVBNKUVAX-UHFFFAOYSA-N	245.124	1.274	0	30	BDAC	
CCN(CC)C(=O)N[C@H]1CC[C@H](N)CC1	321928552	RZILWWHEYKDIJQ-MGCOHNPYSA-N	213.325	1.308	0	30	BDAC	
COC(=O)c1cccc2c(=O)[nH]ccc12	33358958	TYWKOYUCGGZKBB-UHFFFAOYSA-N	203.197	1.315	0	30	BDAC	
CC(C)(C)OC(=O)N1CCSC[C@@H]1CCN	71478975	TXMOKDKDMIRWPN-VIFPVBQESA-N	246.376	1.688	0	30	BDAC	
CC(C)(C)OC(=O)[C@H](N)c1cccnc1	98181453	MATGUCBHVPZYNG-SECBINFHSA-N	208.261	1.423	0	30	BDAC	
O=C(O)Cc1cnc(C(F)(F)F)cn1	82379225	FLRAWHNSRCJYSG-UHFFFAOYSA-N	206.123	1.123	0	30	BDAC	
NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O	83777318	AKWFXFCXGOXDND-QWHCGFSZSA-N	223.291	1.858	0	30	BDAC	
NCc1nc2cccc(Br)c2[nH]1	89195185	BMRXKDIZQIWUMK-UHFFFAOYSA-N	226.077	1.784	0	30	BDAC	in-vitro
O=C(O)[C@@H]1NCCC[C@H]1c1ccccc1	215418758	YGSCJJLICMUWJF-WDEREUQCSA-N	205.257	1.607	0	30	BDAC	
C[C@H]1OCCN(Cc2ccccc2)C1=O	95642767	FJCYRXLDGXUGEV-SNVBAGLBSA-N	205.257	1.434	0	30	BDAC	
O=C(O)c1ccc2nc3ccsc3c(=O)n2c1	153844	FJUCLXQPGQDDMO-UHFFFAOYSA-N	246.247	1.607	0	30	BDAC	
CN(C)CCNC(=O)CCCc1ccccc1	2000812	CSFUGBFDJIZZOE-UHFFFAOYSA-N	234.343	1.687	0	30	BDAC	
CC(=O)O[C@@H]1C(=O)Nc2c(Cl)cccc21	2021115	JKHCHPATJJTKAU-VIFPVBQESA-N	225.631	1.896	0	30	BDAC	
C[C@@H]1Cc2ccc(C(=O)O)c(O)c2C(=O)O1	13461962	POPKYYDFBOZZGX-RXMQYKEDSA-N	222.196	1.192	0	30	BDAC	
CCn1ncc(C(=O)c2cccnc2)c1O	38812802	AGALCJQORZTJPM-UHFFFAOYSA-N	217.228	1.235	0	30	BDAC	
C/C(=C\CO)CCO[C@H]1CCCCO1	39090660	HPCKMVZTZLRFNH-UAWPZABVSA-N	200.278	1.858	0	30	BDAC	
CCOC(=O)C(F)(F)[C@@H]1CCCC(=O)C1	38975364	TVQFBZSFRXWHQN-SSDOTTSWSA-N	220.215	1.944	0	30	BDAC	in-vitro
CC[C@H](O)C[S@@](=O)(=S)c1ccc(C)cc1	100125242	KYPZPMVQOKYOJF-ZUZCIYMTSA-N	244.381	1.871	0	30	BDAC	
C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12	15205521	FBWQLTARTKWGMT-JDDHQFAOSA-N	244.287	1.403	0	30	BDAC	in-vitro
CC(=O)Oc1ccc(Br)nc1	72192305	CMAJZWMXEYGGIM-UHFFFAOYSA-N	216.034	1.769	0	30	BDAC	
COC(=O)CN(Cc1ccccc1)[C@H]1C[C@@H](N)C1	1536221391	ANJXROJOINKFJF-BETUJISGSA-N	248.326	1.151	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(C(=O)O)C[C@@H]12	238108225	ZDKMDPPQMCOHEX-SXMVTHIZSA-N	241.287	1.764	0	30	BDAC	
CNNC(=S)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21	252428684	VEMRIERNCZUCLY-ORMBPQIASA-N	237.372	1.186	0	30	BDAC	
CON(C)C(=O)C(F)(F)c1ccccc1	78373159	GZZVHVDTYSGBFP-UHFFFAOYSA-N	215.199	1.798	0	30	BDAC	
COCCCNC1CC(C)(C)NC(C)(C)C1	33606758	VDGDCVKCGHKYJP-UHFFFAOYSA-N	228.380	1.922	0	30	BDAC	
CN1CC[C@H](c2ccccc2)C[C@@H]1C(=O)O	222231781	MFDXFGCQIALBKU-NWDGAFQWSA-N	219.284	1.949	0	30	BDAC	
CNC1(CNC(=O)OC(C)(C)C)CCC1	238857221	YITHVUIBQKJNDQ-UHFFFAOYSA-N	214.309	1.653	0	30	BDAC	
COc1ccc(-c2cccc(CO)c2)nn1	71791978	DVSNUPTYLKFCIB-UHFFFAOYSA-N	216.240	1.645	0	30	BDAC	
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2S(=O)(=O)O	16951700	LKTRVKICUSKZGA-FWWHASMVSA-N	232.301	1.268	0	30	BDAC	
C/N=c1\ccc(C(=O)OC)ccc1NC	39086969	AKJYQSTVILBVSZ-UHFFFAOYSA-N	206.245	1.045	0	30	BDAC	
COCCn1cccc1C(=O)C(F)(F)F	39054618	BEOBDAUHGRJVLG-UHFFFAOYSA-N	221.178	1.880	0	30	BDAC	
CC(C)(C)OC(=O)NCc1nccc(F)n1	888087924	NVGVDZQYVIMIPQ-UHFFFAOYSA-N	227.239	1.640	0	30	BDAC	
O=C(NC[C@H](O)c1ccccc1)C1CCC1	12340532	ZJKXULNFXXGWOY-LBPRGKRZSA-N	219.284	1.636	0	30	BDAC	
CCOC(=O)[C@H]1COc2ccccc2C1=O	117719927	WBTNJXOCKWYEAJ-VIFPVBQESA-N	220.224	1.441	0	30	BDAC	in-vitro
COC(=O)[C@H](N)Cc1ccc(C)cc1C	57494904	KOTSKKYJFZLKQL-LLVKDONJSA-N	207.273	1.346	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H](C(=N)N)C1CC1	70650199	MKUXUJGTYKATFM-ZETCQYMHSA-N	213.281	1.226	0	30	BDAC	
COC(=O)[C@H](N)Cc1ccc(Cl)cc1OC	95640165	RJHJEVXETCNJBE-SECBINFHSA-N	243.690	1.391	0	30	BDAC	
OCc1c(Br)ccc2[nH]ncc12	95628379	IQJMSOPPCKPRIE-UHFFFAOYSA-N	227.061	1.818	0	30	BDAC	
CCOC(=O)c1sc(=N)n(C)c1C	100339494	OFICIDXFDUJWKG-UHFFFAOYSA-N	200.263	1.051	0	30	BDAC	
Ic1cccc2cnnn12	150106959	OKNHQAJIMYJAFO-UHFFFAOYSA-N	245.023	1.334	0	30	BDAC	
C[C@H](N)c1ccncc1Br	214268004	DJYGWCCHLKHAHP-YFKPBYRVSA-N	201.067	1.864	0	30	BDAC	
Oc1ccc([C@H](O)[C@@H](O)c2ccc(O)cc2)cc1	6093200	GRCDZLQANHNACB-KBPBESRZSA-N	246.262	1.865	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2[C@H](CN)C[C@H]2C1	258012046	FCJBARVASXPTHS-GUBZILKMSA-N	226.320	1.448	0	30	BDAC	
CCOC(=O)[C@]1(c2ccccc2)CCO1	260423471	NUWGDQUAHXIORD-GFCCVEGCSA-N	206.241	1.865	0	30	BDAC	
CCC[C@H](C)C[C@]1(C)OC[C@H](CO)O1	393718925	HCQGPTLIUCZCNL-GARJFASQSA-N	202.294	1.937	0	30	BDAC	
CC(C)(C)OC(=O)NCc1nc[nH]c1C(=O)O	685947500	LCHAPFAUQYQYOZ-UHFFFAOYSA-N	241.247	1.133	0	30	BDAC	
CC(C)CCCC[C@H](O)[C@H]1C(=O)OC[C@H]1CO	5618738	XRKZVXDFKCVICZ-WOPDTQHZSA-N	244.331	1.345	0	30	BDAC	biogenic,in-vitro
COc1cc(OC)c2c(c1)OCC[C@@H]2N	36204562	TVMVIJPIRBELNT-QMMMGPOBSA-N	209.245	1.486	0	30	BDAC	
COC(=O)c1noc2ccc(OC)cc12	98181565	UXTZSMRXNWXVMO-UHFFFAOYSA-N	207.185	1.623	0	30	BDAC	
COc1ccc2cccnc2c1C(=O)O	143614307	YXDHBRKFWUOAPG-UHFFFAOYSA-N	203.197	1.942	0	30	BDAC	
C=CCc1cccc(C[C@H](N)C(=O)OC)c1	144557804	XQMXGRFAUGXHJO-LBPRGKRZSA-N	219.284	1.458	0	30	BDAC	
COC(=O)[C@](C)(N)c1ccccc1Cl	37459662	VIEHJOWDLHVIEX-SNVBAGLBSA-N	213.664	1.687	0	30	BDAC	
CN(CCc1ccccc1)[C@H]1CCNC1	70892534	WUWSOFIEGIELJA-ZDUSSCGKSA-N	204.317	1.523	0	30	BDAC	in-vitro
Cc1ccc2cc(C(=O)O)c(C(=O)O)nc2c1	32099647	KSUMYWMNVADYCX-UHFFFAOYSA-N	231.207	1.940	0	30	BDAC	
CN(CC(=O)O)Cc1ccc(Cl)s1	35084289	YJQGSMWGTVHECH-UHFFFAOYSA-N	219.693	1.918	0	30	BDAC	
CCn1c(CO)nc(C)c1Br	39102165	HDOOPDLIJVAMQE-UHFFFAOYSA-N	219.082	1.466	0	30	BDAC	
Cn1c(-c2ccccc2)cnc1C(=O)O	75852105	CYVKMWWAODAXJE-UHFFFAOYSA-N	202.213	1.785	0	30	BDAC	
CCc1cc(P(O)O)cc(CC)c1O	100260779	UVZNTGRSATXCFL-UHFFFAOYSA-N	214.201	1.439	0	30	BDAC	
COc1cc(O)cc(SC(=N)N)c1O	39097488	HNOFHAQMEIULES-UHFFFAOYSA-N	214.246	1.092	0	30	BDAC	
CN1CCC=C2c3ccccc3[C@H](O)[C@H]21	1853406	YSVNTYMQDHASPW-STQMWFEESA-N	201.269	1.821	0	30	BDAC	
CNC(=O)c1ccc([C@H]2CCCCN2)n1C	97139113	HTOVMQKSPQJJQH-SECBINFHSA-N	221.304	1.199	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CC[C@H]1CCN	142487853	KHJAQTONQACTCR-MRVPVSSYSA-N	200.282	1.345	0	30	BDAC	
CC(C)(C)OC(=O)NCCOCCCC(=O)O	2265378622	MRTNFLXVFQIFCK-UHFFFAOYSA-N	247.291	1.393	0	30	BDAC	
CCC[C@H](C)C[C@@]1(C)OC[C@@H](CO)O1	238249732	HCQGPTLIUCZCNL-AXFHLTTASA-N	202.294	1.937	0	30	BDAC	
O=C(Cc1ncon1)Nc1ccc(F)cc1	3157564	CDKGDCVKUCPLKA-UHFFFAOYSA-N	221.191	1.390	0	30	BDAC	
CC(=O)[C@H]1CCC(=O)N1Cc1ccccc1	146727709	FIFRJJLOOYYYOZ-GFCCVEGCSA-N	217.268	1.767	0	30	BDAC	biogenic
O=C(O)CCCCOc1ccc(CO)cc1	2509837	FXGJFXIOKQGUON-UHFFFAOYSA-N	224.256	1.813	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@](CN)(CF)C1	107263884	ODQPLGBUTNTIAZ-NSHDSACASA-N	232.299	1.542	0	30	BDAC	
C[C@@H]1CC[C@@H](C)[C@H](OC(=O)NC(N)=O)C1	39109509	ACPDZVZIAYCDIN-BWZBUEFSSA-N	214.265	1.616	0	30	BDAC	
COC[C@@]1(C(=O)OC(C)(C)C)CCCN1	399591332	FQLWNKBKAOWIOM-LLVKDONJSA-N	215.293	1.097	0	30	BDAC	
Nc1c(C(=O)O)cc(Cl)c(F)c1[N+](=O)[O-]	393762752	OYHKHSXQAHDPDA-UHFFFAOYSA-N	234.570	1.668	0	30	BDAC	
Cc1sc(C(=O)O)nc1Br	84420182	ZNEHZAACYOLUIJ-UHFFFAOYSA-N	222.063	1.912	0	30	BDAC	
CO[C@H]1NC(=O)C(C(C)C)(C(C)C)O1	32212726	YLWHBXUJCIMPRG-SECBINFHSA-N	201.266	1.114	0	30	BDAC	
CC(=O)[C@@](C)(O)SCc1ccco1	5167044	DRIFNOMSLSRDHQ-VIFPVBQESA-N	200.259	1.810	0	30	BDAC	
Oc1nccn2nc(Br)cc12	2265360066	RPPXDSVXRPKHNV-UHFFFAOYSA-N	214.022	1.197	0	30	BDAC	
NC(=O)c1sccc1NC(=O)C(F)(F)F	1026192	MJKPFVGRSJOARU-UHFFFAOYSA-N	238.190	1.348	0	30	BDAC	
CC(C)(C)OC(=O)NCc1ccc(N)c(O)c1	214257573	JHPAZFNIYSWKSY-UHFFFAOYSA-N	238.287	1.999	0	30	BDAC	
COc1cc(Cl)ccc1C[C@@H](N)C(=O)O	83070998	CRVNEIVGFSMKNQ-MRVPVSSYSA-N	229.663	1.303	0	30	BDAC	
Cc1cc(=O)n([C@H]2CCSC2)cc1N	725249532	UUBCNKUKGNCUGS-QMMMGPOBSA-N	210.302	1.417	0	30	BDAC	
O=C1CC(=O)N[C@@H](Cc2ccccc2)C1	90649033	YLBLDOIOPLQRKF-JTQLQIEISA-N	203.241	1.077	0	30	BDAC	in-vitro
COc1cc2oc(=O)ccc2c(OC)c1C=O	15217441	FEXGPTBUOWWSRX-UHFFFAOYSA-N	234.207	1.623	0	30	BDAC	biogenic
Nc1cnc2c(C(F)(F)F)cccn12	82695857	DNIIMNKWFWKISO-UHFFFAOYSA-N	201.151	1.935	0	30	BDAC	
C[C@]1(c2ccccc2)N[C@@H](C(=O)O)CS1	5722523	RZSNENYNJZGAPV-KOLCDFICSA-N	223.297	1.649	0	30	BDAC	
CCOC(=O)Cc1ccnc(SC)n1	64033902	OZSRTYTZKWINDF-UHFFFAOYSA-N	212.274	1.304	0	30	BDAC	in-vitro
Cc1c(O)ccc(S(=O)(=O)O)c1C	33608372	ZXPLMIDGCZOIIR-UHFFFAOYSA-N	202.231	1.256	0	30	BDAC	
Cc1cc(C(F)(F)F)cnc1[S@](=O)O	1535370255	DTSZCBVLIRTIBL-UHFFFAOYSA-N	225.191	1.989	0	30	BDAC	
CC(=O)c1cc(Br)ncc1N	38417192	OOVYUSSUGYCYEJ-UHFFFAOYSA-N	215.050	1.629	0	30	BDAC	
Nc1ncc(Cc2ccccc2)c(N)n1	5425469	XHPZVBGIPQQTQW-UHFFFAOYSA-N	200.245	1.232	0	30	BDAC	
COc1cc(N)ccc1[S@@](C)(=N)=O	149521749	IADLVZKFGFVDJK-ZDUSSCGKSA-N	200.263	1.313	0	30	BDAC	
CCOC(=O)c1ccccc1CC(=O)O	39215767	YZZKCQQWWJPOPW-UHFFFAOYSA-N	208.213	1.490	0	30	BDAC	
Oc1cc2c(cc1Br)OCCO2	36182626	QUUPGOJJLXJPRA-UHFFFAOYSA-N	231.045	1.926	0	30	BDAC	
CC(=O)NC12CCC(C(=O)O)(CC1)CC2	238072640	VHDJITVKFZXMHR-UHFFFAOYSA-N	211.261	1.300	0	30	BDAC	
Cc1cc(NC(=O)c2ccc3nonc3c2)on1	171366	KUBTVUHRUVYNPC-UHFFFAOYSA-N	244.210	1.772	0	30	BDAC	
CC(C)(C)N(Cc1ccccc1)C[C@H](O)CN	33506768	QBYBTRGJFDHZKL-CYBMUJFWSA-N	236.359	1.607	0	30	BDAC	
Nc1ccc(N)c2c1[C@H](O)c1ccccc1[C@H]2O	33611430	BRWUPFWYFPEOMA-ZIAGYGMSSA-N	242.278	1.328	0	30	BDAC	
COc1ccc(CN[C@@H](C)CCCO)cc1	87358087	MICZGOMXMGCDCA-NSHDSACASA-N	223.316	1.946	0	30	BDAC	in-vitro
CN(C)Cc1cccc(Br)n1	39348610	XHYBZNLPYKVONJ-UHFFFAOYSA-N	215.094	1.906	0	30	BDAC	
Ic1ncc2cnccn12	75843618	TUPMXAMVXGBMNZ-UHFFFAOYSA-N	245.023	1.334	0	30	BDAC	
O=C(OCc1ccccc1)N1CC[C@@H]2CNC[C@@H]21	39171353	BHVKKCNFHLRFDD-OLZOCXBDSA-N	246.310	1.617	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCNC1	82327500	SWXKQKRTYYRLEM-QWRGUYRKSA-N	240.347	1.995	0	30	BDAC	
CCOC(=O)Cc1cncc(Cl)c1N	95773554	HZCZGEUIPYLHBA-UHFFFAOYSA-N	214.652	1.423	0	30	BDAC	
CC(C)(C)OC(=O)NCc1cc(N)[nH]n1	238175797	ZYJSLBMEMHZAHG-UHFFFAOYSA-N	212.253	1.017	0	30	BDAC	
C[C@](O)(CO)COc1ccccc1Cl	6067201	NUUIWQTXXMNXON-JTQLQIEISA-N	216.664	1.462	0	30	BDAC	
COC(=O)[C@@H]1NCCc2c1[nH]c1ccccc21	21998690	AXORRASOUNGLOT-GFCCVEGCSA-N	230.267	1.528	0	30	BDAC	
CCOC(=O)C(F)(F)C1(O)CCCC1	34619478	JRDSMWUOOBAVSI-UHFFFAOYSA-N	208.204	1.490	0	30	BDAC	in-vitro
CNC(=O)CN[C@H](C)c1ccc(F)cc1Cl	95215257	LEWVCGOUQZLNLO-SSDOTTSWSA-N	244.697	1.876	0	30	BDAC	in-vitro
CCOC(=O)c1nc2c(F)cc(Cl)cn2n1	953019543	WMWRWSVYJWIEQX-UHFFFAOYSA-N	243.625	1.699	0	30	BDAC	
Cc1nc(C(=O)O)ncc1Br	117852229	YANXNZGTQDRSSC-UHFFFAOYSA-N	217.022	1.246	0	30	BDAC	
O=C1CNCc2nc(Br)sc21	84248962	ZJMRIJAVPXYWDK-UHFFFAOYSA-N	233.090	1.192	0	30	BDAC	
CCOC(=O)[C@H]1CNc2ccc(C)cc2O1	95936133	VLMNRPYUZSIGRK-LLVKDONJSA-N	221.256	1.731	0	30	BDAC	
CC(C)(C)OC(=O)C1CC2(CC[C@@H](CN)O2)C1	669371725	VIKVRVRILDDJRV-QUNCOHTASA-N	241.331	1.615	0	30	BDAC	
CC(=O)C[C@H](C(C)=O)[C@H](O)c1ccco1	33607737	LACIYQDZSCPPHT-KOLCDFICSA-N	210.229	1.497	0	30	BDAC	
O=C1CCCN1c1ccc(Br)cn1	66348521	BZJQQRCFYKSQKX-UHFFFAOYSA-N	241.088	1.971	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@]1(CO)CC12CC2	2265385255	XDOUBDNRRCDYQZ-LLVKDONJSA-N	213.277	1.426	0	30	BDAC	
COc1cc(O)cc(N2CCN(C)CC2)c1	2265364206	ZTRQTBFLVUKPOB-UHFFFAOYSA-N	222.288	1.153	0	30	BDAC	
NCc1cc(-c2ccc3c(c2)OCO3)no1	57498943	PMQSXFKUYPGQGN-UHFFFAOYSA-N	218.212	1.529	0	30	BDAC	in-vitro
CSc1c(C(N)=O)c(-c2ccccc2)nn1C	95376	IXDLBYOPNKDXGO-UHFFFAOYSA-N	247.323	1.908	0	30	BDAC	
C[C@H]1C[C@@H](C(=O)O)[C@@H](C(=O)O)C[C@H]1C	4321961	NSVFQYRNBOFQMT-SOSBWXJGSA-N	200.234	1.454	0	30	BDAC	
CC1(C)Cn2cc(Br)cc2C(=O)N1	307104369	BDPPKOKTVGYHKV-UHFFFAOYSA-N	243.104	1.773	0	30	BDAC	
CCOc1ccc([C@@H](N)C(=O)OC)cc1	37459803	GKRSZKABJCEHSM-SNVBAGLBSA-N	209.245	1.258	0	30	BDAC	
NC[C@H](CO)Cc1cc(F)c(F)c(F)c1	62705856	QKKOAZYOGVEDSP-SSDOTTSWSA-N	219.206	1.214	0	30	BDAC	in-vitro
COC(=O)[C@H](C(C)=O)c1ccccc1F	71512083	DXISVZJSLNIQIF-SNVBAGLBSA-N	210.204	1.671	0	30	BDAC	
Cc1cc(F)c(C(=O)O)cc1S(C)(=O)=O	258300808	ZQXMIAHJZONUKP-UHFFFAOYSA-N	232.232	1.236	0	30	BDAC	
CC[C@@H]1CN(C(=O)OC(C)(C)C)CC1=O	202098787	UHNGPZRFJMPEEQ-MRVPVSSYSA-N	213.277	1.832	0	30	BDAC	
CCCCOCCO[C@@H](C)COC[C@H](C)O	33638046	ZENPKPOPTRKSMJ-RYUDHWBXSA-N	234.336	1.606	0	30	BDAC	
CC(C)Nc1ncc(Br)c(=O)n1C	1857792968	NUSVGJIMJAXCJT-UHFFFAOYSA-N	246.108	1.363	0	30	BDAC	
c1cncc(-c2nnn(CN3CCCCC3)n2)c1	340513	IHGKGLBTNRKTTD-UHFFFAOYSA-N	244.302	1.179	0	30	BDAC	
O=C(O)Cc1csc(NC[C@@H]2CCCO2)n1	8024983	JOEIILMCTHSVEU-QMMMGPOBSA-N	242.300	1.361	0	30	BDAC	
COC(=O)[C@@H](N)C[C@H]1CCCc2ccccc21	69553459	FMDYADPUIXUSMM-YPMHNXCESA-N	233.311	1.997	0	30	BDAC	in-vitro
O=C(O)c1nccc2cc(Cl)cnc12	306751135	NCUTYTBKZNTNMA-UHFFFAOYSA-N	208.604	1.981	0	30	BDAC	
CCOC(=O)C(F)(F)[C@H]1CCCC(=O)C1	38975366	TVQFBZSFRXWHQN-ZETCQYMHSA-N	220.215	1.944	0	30	BDAC	in-vitro
O=C(O)C[C@@H]1OC2(CCCCC2)OC1=O	38435505	GZPFASHFOHXEAY-ZETCQYMHSA-N	214.217	1.064	0	30	BDAC	
Cc1ccc([C@H]2CNC[C@@H](C(=O)O)C2)cc1	82162747	SGEXGOHIRXHOLR-NEPJUHHUSA-N	219.284	1.773	0	30	BDAC	
Brc1cc2c(cn1)CCNC2	237995100	HTQWLALDYDOEAN-UHFFFAOYSA-N	213.078	1.490	0	30	BDAC	
COc1ccc([C@@H]2OCCN[C@@H]2C)cc1	37405082	BHRUEGUXZCYUBO-BXKDBHETSA-N	207.273	1.745	0	30	BDAC	
CNc1ncc(Br)nc1C	202931599	HMMOVNFDTJIDTL-UHFFFAOYSA-N	202.055	1.589	0	30	BDAC	
N[C@H]1CCCN(c2ccc(F)c(F)c2)C1=O	70061678	HFTDUJSOBILYOC-JTQLQIEISA-N	226.226	1.419	0	30	BDAC	
N#CCC(=O)C[C@H](Cc1ccccc1)C(=O)O	96347076	AQDFTKPHMZIIEF-NSHDSACASA-N	231.251	1.803	0	30	BDAC	
COC(=O)[C@H](Cc1ccc(F)cc1)OC	521399588	HSXMJLPDLPFMLO-JTQLQIEISA-N	212.220	1.556	0	30	BDAC	
CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCNC1	34062602	MNIHYAVDKLMINM-VIFPVBQESA-N	228.336	1.899	0	30	BDAC	
CN(C)CCCNCCNC(=O)OC(C)(C)C	134519209	OFYABVOAKGPVKK-UHFFFAOYSA-N	245.367	1.052	0	30	BDAC	
O=P(O)(O)CCOCc1ccccc1	96395005	RYVYNGVGWJOPTN-UHFFFAOYSA-N	216.173	1.381	0	30	BDAC	
COC(=O)c1cnc2c(c1)C(=O)CCC2	96190310	BHLCGXBVVKVPKH-UHFFFAOYSA-N	205.213	1.387	0	30	BDAC	
CN[C@@](CO)(c1ccccc1)C(F)(F)F	1535644797	PQHYSYXTCAZCGK-VIFPVBQESA-N	219.206	1.656	0	30	BDAC	
C[C@@H]1NCC[C@@H](C)[C@@H]1NC(=O)C(F)(F)F	238853831	LGJUIJNHRURUAE-VQVTYTSYSA-N	224.226	1.051	0	30	BDAC	
CN[C@@H]1Cc2ccc(OC)c(OC)c2C1	29225596	YFQNHQPLESHICO-SECBINFHSA-N	207.273	1.390	0	30	BDAC	
COc1cc2c(c(OC)c1)CC(=O)CC2	33603393	SIIBOHMMQGFEPX-UHFFFAOYSA-N	206.241	1.762	0	30	BDAC	
CC(C)(C)c1ccc(N(CCO)CCO)cc1	38644136	IEXYKOLCMBHVMG-UHFFFAOYSA-N	237.343	1.775	0	30	BDAC	
COC(=O)Cc1ccc(Br)c(O)c1	146207048	AYTFSBMFXFZCRV-UHFFFAOYSA-N	245.072	1.870	0	30	BDAC	
Cc1cccc(C(=O)Nc2cccnc2)[n+]1[O-]	196302707	DGXSIMTVHVJMTF-UHFFFAOYSA-N	229.239	1.276	0	30	BDAC	
NS(=O)(=O)CC1(C(F)F)CCCC1	669371501	BFVNQUAODQTIDY-UHFFFAOYSA-N	213.249	1.100	0	30	BDAC	
CCCCC[C@@H]1OC(=O)[C@H](C)[C@@H]1C(=O)O	14650497	VRNXAQRALVPTGJ-VGMNWLOBSA-N	214.261	1.829	0	30	BDAC	
Cc1cc(-c2noc(-c3cc(C)on3)n2)no1	123378	HUSMCVRIONDFCA-UHFFFAOYSA-N	232.199	1.996	0	30	BDAC	
c1ccc(CN2CC[C@H]3OCCN[C@@H]3C2)cc1	76679465	NQOZBPSEWFZGRL-ZIAGYGMSSA-N	232.327	1.249	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@]21C(=O)O	307459978	AVQWMFPNWOIVFJ-PELKAZGASA-N	241.287	1.861	0	30	BDAC	
Cc1cc2cc(C(=O)O)ccc2[nH]c1=O	45817441	GTIGVZCZNYJSNM-UHFFFAOYSA-N	203.197	1.535	0	30	BDAC	
CCCOC(=O)C[C@@H](CN)CC(C)C	83862699	NYYKBBLMUACATG-JTQLQIEISA-N	201.310	1.951	0	30	BDAC	
COc1cc(F)c(C=O)c(F)c1OC	32235414	UDOBXTADCGSCLS-UHFFFAOYSA-N	202.156	1.795	0	30	BDAC	
O=c1oc2ccccc2c2c1COCC2	2382706	WSECHJISCFFJEN-UHFFFAOYSA-N	202.209	1.866	0	30	BDAC	
NC(=O)[C@H]1CCCN(c2ccc(C(=O)O)cc2)C1	20079709	POZFBOCPKOCIHY-JTQLQIEISA-N	248.282	1.087	0	30	BDAC	
CCOC(=O)C1=C(C)NC(=O)N(C)[C@@H]1CC	39102618	LEJZOFVXIHYSNM-MRVPVSSYSA-N	226.276	1.257	0	30	BDAC	
O=C1CCC(=O)OC[C@H]2CCCC[C@@H]2CO1	38647360	WUYDLFIACLRMNK-NXEZZACHSA-N	226.272	1.673	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC(=O)C12CC2	687770270	KIBGZOYHBVGDOO-UHFFFAOYSA-N	211.261	1.729	0	30	BDAC	
Cn1cccc1I	96662632	OVUKRIWLBFTBER-UHFFFAOYSA-N	207.014	1.630	0	30	BDAC	
O=C(O)c1ncc(-c2ccccn2)s1	143207541	NHJCWFYCQKAYLJ-UHFFFAOYSA-N	206.226	1.903	0	30	BDAC	
N=C(NO)c1cccnc1C(F)(F)F	75895905	PCOWFFKKPOEGEB-UHFFFAOYSA-N	205.139	1.405	0	30	BDAC	
Cn1cc(C(N)=O)c(OCc2ccccc2)n1	2265385170	LGPMZPOUMJITTM-UHFFFAOYSA-N	231.255	1.098	0	30	BDAC	
CCOC(=O)c1ccnn1C(F)(F)F	575601843	NXAYASDOIFVOPQ-UHFFFAOYSA-N	208.139	1.536	0	30	BDAC	
C[C@@H]1C(=O)O[C@H]2C[C@@H](C)C(CCO)=CC[C@H]21	14448741	MOXJTUNOIGNZKZ-QCZKYFFMSA-N	224.300	1.903	0	30	BDAC	endogenous,in-man
C/C=C/[C@@H]1Oc2ccc(C)cc2C(=O)[C@@H]1O	38293564	XVYLLEWVKFEVOT-JCMPJRQWSA-N	218.252	1.876	0	30	BDAC	
COc1cc2c(c(OC)c1OC)CC[C@@H]2CN	35569548	AFTIZGHFDCOQFS-MRVPVSSYSA-N	237.299	1.701	0	30	BDAC	in-vivo
CC(C)CNC(=O)c1cc2ccccn2n1	40785772	HMZZGEJCQSROTC-UHFFFAOYSA-N	217.272	1.720	0	30	BDAC	
Nc1ccc(CO)c(Br)c1	37460535	CGMBOCGFJOOYSQ-UHFFFAOYSA-N	202.051	1.524	0	30	BDAC	
NCC1(c2cccc(Cl)c2)OCCO1	87224817	OCYAPVFOGNSDCA-UHFFFAOYSA-N	213.664	1.498	0	30	BDAC	
COc1nccc(Br)c1F	95761944	NYMSNXYJKHEMCQ-UHFFFAOYSA-N	206.014	1.992	0	30	BDAC	in-vitro
COCC1=NN(Cc2ccccc2)C(=O)C1	105669003	HZYSXSVPRZLFDE-UHFFFAOYSA-N	218.256	1.421	0	30	BDAC	
CC(C)OC[C@@H](C)OC[C@@H](C)OCCCO	141637694	IORJUBNHUBMTQM-VXGBXAGGSA-N	234.336	1.604	0	30	BDAC	
CCN(CC)C(=O)c1nc(C)cnc1C	39105553	VIBVKTPOTSXBKT-UHFFFAOYSA-N	207.277	1.575	0	30	BDAC	
C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1N	66354502	PIKUMWWWMLIKJN-DGCLKSJQSA-N	248.326	1.992	0	30	BDAC	
CC(CCc1ccccc1)(C(=O)O)C(=O)O	1764739	OLXGONJGVSASEW-UHFFFAOYSA-N	222.240	1.795	0	30	BDAC	
COCCNCc1ccc2c(c1)OCCO2	20085567	LUZUIIMOGLYQFR-UHFFFAOYSA-N	223.272	1.194	0	30	BDAC	
Cc1c(Br)c(O)cc(O)c1C(=O)O	2265356007	AQAFXLZBWKFULG-UHFFFAOYSA-N	247.044	1.867	0	30	BDAC	
CCc1cc(NN)c(C(=O)OC)s1	39084877	IAGFFMCPCIHZSC-UHFFFAOYSA-N	200.263	1.383	0	30	BDAC	
c1ccc(Cc2cn3c(n2)CNCC3)cc1	70601626	SFBZKDWLTJDRDM-UHFFFAOYSA-N	213.284	1.577	0	30	BDAC	
CC(C)(C)OC(=O)N1CCN[C@@H]2CCC[C@@H]21	82359728	DTQFSFGKCIRARX-ZJUUUORDSA-N	226.320	1.748	0	30	BDAC	
Brc1ccn(C[C@H]2CCOC2)n1	306538133	OOAUKSXZIOROLR-SSDOTTSWSA-N	231.093	1.682	0	30	BDAC	
COc1ccc(C(=O)C(F)(F)F)cn1	95761227	WWTWLCYJBYYPHS-UHFFFAOYSA-N	205.135	1.835	0	30	BDAC	
COC(=O)[C@@H]1Cc2cccc(OC)c2C1	38435209	FDNXBUIKAOQJAK-SECBINFHSA-N	206.241	1.583	0	30	BDAC	
COC(=O)c1coc2c(N)cccc2c1=O	85210676	VTRRUBUQQYWAPX-UHFFFAOYSA-N	219.196	1.162	0	30	BDAC	
C#CCN(CC(=O)OC)C(=O)OC(C)(C)C	150015276	VLUTYZWXGQHRSY-UHFFFAOYSA-N	227.260	1.030	0	30	BDAC	
O=C(O)[C@@H]1[C@H]2CC[C@@]1(c1cscn1)C2	1535644092	UQJRFGJNASFIBU-HKPALBBZSA-N	209.270	1.895	0	30	BDAC	
Cc1cc(-n2cnc(-c3cn(C)nc3C)n2)no1	141000	WVWKTWXFFMWOGT-UHFFFAOYSA-N	244.258	1.273	0	30	BDAC	
O=Cc1cccc(CO)c1Br	231451790	RAICACCJOSWWSB-UHFFFAOYSA-N	215.046	1.754	0	30	BDAC	
CCO[C@H]1CC(=O)[C@@H]1Oc1ccccc1	95882044	SRDZRPSVMKJAFI-RYUDHWBXSA-N	206.241	1.812	0	30	BDAC	
CCOC(=O)c1ncoc1C1CCOCC1	61673850	UZPIAIIDSZHYKW-UHFFFAOYSA-N	225.244	1.745	0	30	BDAC	
CCOC(=O)[C@H](C)CC(OCC)OCC	74942786	ZZRDYXBGXJBMFQ-SECBINFHSA-N	218.293	1.975	0	30	BDAC	
O=C1C[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O1	142410109	DUDGVIIVLLSHGX-MRVPVSSYSA-N	235.195	1.227	0	30	BDAC	
COc1ccc(OC(=O)C=CN(C)C)cc1	2265237905	YCGOYKANORUHSC-UHFFFAOYSA-N	221.256	1.676	0	30	BDAC	
Cc1cc(C)cc(-n2cnc(C(=O)O)n2)c1	91355978	TXVRZNWFBUXHPX-UHFFFAOYSA-N	217.228	1.582	0	30	BDAC	in-vitro
Cc1cccc(NC(=O)c2ccno2)c1C(=O)O	129537	JILFOSBMQWFXGM-UHFFFAOYSA-N	246.222	1.934	0	30	BDAC	
O=S1(=O)CCc2c(Br)cccc21	217850653	IUGRJKLRZLDUCP-UHFFFAOYSA-N	247.113	1.779	0	30	BDAC	
CCO[C@H]1OCc2c(F)nc(C)c(O)c21	39100015	KYUZLCMOIIWOJF-JTQLQIEISA-N	213.208	1.800	0	30	BDAC	
C[C@@H]1CCN[C@H](CNC(=O)OC(C)(C)C)C1	211672872	KJUJFXNZAAIFQZ-ZJUUUORDSA-N	228.336	1.899	0	30	BDAC	
CS(=O)(=O)c1cc(F)c(Cl)cc1N	85103777	BXNNJHRMRGPBHM-UHFFFAOYSA-N	223.656	1.465	0	30	BDAC	
CC(C)(C)OC(=O)N1[C@@H]2CCCC(=O)[C@@H]21	521399805	QIAQMEHBYUJUDH-SGAJNUDASA-N	211.261	1.727	0	30	BDAC	
CC(=O)[C@@H]1C(=O)c2ccccc2N(C)C1=O	19202175	GOYNGPKEBDKGPA-SNVBAGLBSA-N	217.224	1.051	0	30	BDAC	
O=C1CNC[C@H]2c3ccccc3CCCN12	34317346	SJRRUSANHUTZMQ-LBPRGKRZSA-N	216.284	1.106	0	30	BDAC	
CCCc1cnc(N2CCSCC2)nc1	66617	DMMROWOBLASHHK-UHFFFAOYSA-N	223.345	1.982	0	30	BDAC	
COC(=O)[C@H](N)[C@H]1CCc2ccccc21	34216992	FJHKXJFEAMOZFF-WDEREUQCSA-N	205.257	1.217	0	30	BDAC	
Cc1cc2c(Br)ncnn2c1	84324370	IKNICPXYLIDVNW-UHFFFAOYSA-N	212.050	1.800	0	30	BDAC	
COC[C@H](OCc1ccccc1)C(=O)O	229323183	OLBKHRMXYSJVSN-JTQLQIEISA-N	210.229	1.303	0	30	BDAC	
COc1cc(C)c(CC(=N)NO)cc1C	2547441	LAFPVERNYXJFIH-UHFFFAOYSA-N	208.261	1.811	0	30	BDAC	
NC(=O)c1cnc2ccccc2c1Cl	95830999	WRMBZBXZRAXRIK-UHFFFAOYSA-N	206.632	1.987	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@@H](F)C1	98192911	NBOGKMXMCRIGDG-DTWKUNHWSA-N	232.299	1.683	0	30	BDAC	
CCOC(=O)CS[C@H](CN)C(F)(F)F	37178246	MNRAASCLGBSEMP-RXMQYKEDSA-N	231.239	1.172	0	30	BDAC	
C[C@@H]1C[C@H](OC[C@@H](O)CO)CC(C)(C)C1	145021401	XLNQVDHZDZPRJL-VWYCJHECSA-N	216.321	1.571	0	30	BDAC	
COC(=O)[C@@H](N)c1ccc(F)c(F)c1	37459765	OYIZGPZUAMNZMB-QMMMGPOBSA-N	201.172	1.138	0	30	BDAC	in-vitro
CCOC(=O)[C@H]1C[C@@]1(CC)CCCO	39100635	OUBXOBPUTXVVRG-MWLCHTKSSA-N	200.278	1.738	0	30	BDAC	
CCOc1ccc(Cl)c(S(N)(=O)=O)c1	584597071	WPQHMOCOSBCDQM-UHFFFAOYSA-N	235.692	1.386	0	30	BDAC	
COC(=O)CSc1ncnc2ccsc12	4324133	HSXHNDZTWZKSMM-UHFFFAOYSA-N	240.309	1.956	0	30	BDAC	
CCOC(=O)COc1ccc(C(N)=S)cc1	19472142	LVFCIEJBJUHZIH-UHFFFAOYSA-N	239.296	1.263	0	30	BDAC	in-vitro
COC(=O)[C@@]1(C)CC(c2ccccc2)=NO1	39233291	QSPIPGHKVZNURH-GFCCVEGCSA-N	219.240	1.743	0	30	BDAC	
O=C1NCCN[C@@H]1c1ccc(C(F)(F)F)cc1	51924896	RKKAPCSDNLGCTJ-SECBINFHSA-N	244.216	1.466	0	30	BDAC	
COc1cc(NC(=S)N(C)C)cc(OC)c1	69372	YEEWIIOQQALIOB-UHFFFAOYSA-N	240.328	1.962	0	30	BDAC	
CN(C)C(=S)C[S@](=O)C(C)(C)C	39124963	SRYDUYMXKGDBKJ-GFCCVEGCSA-N	207.364	1.423	0	30	BDAC	
COc1ccc(C(=O)O)cc1[C@H]1CCCN1	72202262	AAEBMJBEJVNKKB-SNVBAGLBSA-N	221.256	1.818	0	30	BDAC	
NC[C@@H](O)c1ccc(C(F)(F)F)nc1	95642478	MVMREPVBWAFDRE-ZCFIWIBFSA-N	206.167	1.093	0	30	BDAC	
CCOC(=O)c1ncn2cc(C(=O)O)ccc12	260500089	PNDQFPHQRILXQS-UHFFFAOYSA-N	234.211	1.209	0	30	BDAC	
FC(F)(F)[C@@H]1CCNCC12CCOCC2	299805293	HMPMMGLOKNPPGM-MRVPVSSYSA-N	223.238	1.955	0	30	BDAC	
CN(C)C=C1NC(=S)N(c2ccccc2)C1=O	8663853	CZHFZTNMDDBJRB-UHFFFAOYSA-N	247.323	1.311	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1CC(=O)O	212537393	GASMYJSLVLZJBR-JGVFFNPUSA-N	247.266	1.809	0	30	BDAC	
CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)O	307399125	VJDDIZFIHZRFLU-SSDOTTSWSA-N	233.264	1.001	0	30	BDAC	
O=S(=O)(O)c1ccc(O)c2c(O)cccc12	1848665	DBTLNKQGKRKJBT-UHFFFAOYSA-N	240.236	1.498	0	30	BDAC	
C[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	148704127	YISREGIVFNMYSB-DTWKUNHWSA-N	231.292	1.003	0	30	BDAC	
COc1ccc(C[S@](=O)C[C@@H](C)O)cc1	216605077	UZJIFXWUESBQGY-RFAUZJTJSA-N	228.313	1.325	0	30	BDAC	
O=C(O)[C@H](O)Cc1ccc(Cl)cc1Cl	6091941	NBORNXKEEFIAMC-MRVPVSSYSA-N	235.066	1.981	0	30	BDAC	
COc1ccc([C@@H](O)C2OCCO2)cc1	21990532	QPBOYTUGFSEWGJ-SNVBAGLBSA-N	210.229	1.102	0	30	BDAC	
CCc1cnc(C)c(S(=O)(=O)O)c1	71255872	MWWOJUZYPRDWII-UHFFFAOYSA-N	201.247	1.199	0	30	BDAC	
CCC(=O)CCNC(=O)OC(C)(C)C	143801526	NTXCZTBJMRARGW-UHFFFAOYSA-N	201.266	1.880	0	30	BDAC	
COc1c(Cl)ccc2c1NC(=O)C2=O	135939835	WINIDLWIIZXCJC-UHFFFAOYSA-N	211.604	1.483	0	30	BDAC	
CC(C)C(=O)N1CCC2(CCNC2)CC1	257679725	KSVUTPWDSWTMEV-UHFFFAOYSA-N	210.321	1.245	0	30	BDAC	
COC(=O)C[C@H]1CCc2ccc(O)cc21	201088612	YIWRHLWWRLWQGG-SECBINFHSA-N	206.241	1.985	0	30	BDAC	
NC(=O)NC(=O)Cc1nc2ccccc2s1	146057	NPZYLGYIVBJZIV-UHFFFAOYSA-N	235.268	1.034	0	30	BDAC	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC	4344320	MPLDLMYNRCYIIL-IUCAKERBSA-N	244.335	1.672	0	30	BDAC	
O=C(O)C[C@](O)(c1ccccc1)c1ccncc1	84551830	UPFPRSHFWIWYIP-AWEZNQCLSA-N	243.262	1.792	0	30	BDAC	
COc1ccc(CCS(N)(=O)=O)cc1Cl	1536209421	UKNDQEWDHSIBSQ-UHFFFAOYSA-N	249.719	1.180	0	30	BDAC	
COC(=O)c1nc(Br)co1	215770717	ZUNSDWRDJZZIOG-UHFFFAOYSA-N	205.995	1.224	0	30	BDAC	
CC(=O)[C@@H]1Cc2ccc(O)c(O)c2C1=O	100105629	VXDCZDNRYXVPRH-ZETCQYMHSA-N	206.197	1.042	0	30	BDAC	
Nc1cnn(Cc2cn3ccccc3n2)c1	19810583	BTIHVTVZWXPXBM-UHFFFAOYSA-N	213.244	1.161	0	30	BDAC	
CCOC(=O)[C@H]1CCC(=O)N1Cc1ccccc1	44029788	XZKAKRTUAZYHIS-GFCCVEGCSA-N	247.294	1.741	0	30	BDAC	
N[C@H]1CCc2nc(C(F)(F)F)cn2C1	70626509	URZOYUGHEWNMFZ-YFKPBYRVSA-N	205.183	1.175	0	30	BDAC	
N[C@H](C(=O)O)c1ccc2ccccc2n1	4202356	UFXOPNDKLIRULH-JTQLQIEISA-N	202.213	1.319	0	30	BDAC	
CC(=O)Nc1ccc(C[S@](C)=O)cc1	306536453	KTVAVZLZFWRQEV-AWEZNQCLSA-N	211.286	1.524	0	30	BDAC	
C[C@@H]1C(=O)NC=CN1C(=O)OCc1ccccc1	95642753	DPGVMGNNOXCZKU-SNVBAGLBSA-N	246.266	1.615	0	30	BDAC	
O=C1CSc2nc(Cl)ncc2N1	236064217	DALVYSNAVDNQEV-UHFFFAOYSA-N	201.638	1.174	0	30	BDAC	
OC1=NCCn2nc(C(F)(F)F)cc21	95756037	KTLKJEDERSICIL-UHFFFAOYSA-N	205.139	1.220	0	30	BDAC	
Cc1nc(CO)sc1Br	139609641	QIXXLCJOJGHZJB-UHFFFAOYSA-N	208.080	1.706	0	30	BDAC	
CC(C)(C)OC(=O)CC[S@](C)(=N)=O	1554770510	REFLTIMQEPLOGR-CYBMUJFWSA-N	207.295	1.395	0	30	BDAC	
Brc1n[nH]c2c1COCC2	72209765	CYXPSFVOFCJXNC-UHFFFAOYSA-N	203.039	1.245	0	30	BDAC	
CC1=CC(=O)O[C@@]2(C1)C[C@H]1CC[C@@H]2CN1C	1311	YBQKKTNDAXVYGX-WZRBSPASSA-N	221.300	1.733	0	30	BDAC	endogenous,in-man
Cn1nc(-c2ccc(Cl)cc2)[nH]c1=O	164639	BPQXCCDPJLKNIO-UHFFFAOYSA-N	209.636	1.429	0	30	BDAC	
Cc1ccn2nc(Br)nc2c1	95918540	WLGXBGDLTKSZAA-UHFFFAOYSA-N	212.050	1.800	0	30	BDAC	in-vitro
CC(C)(C)O[C@@H]1C[C@@H](N)[C@H]1n1cccn1	299805451	OPUNPWADWNJUEF-OPRDCNLKSA-N	209.293	1.339	0	30	BDAC	
O=S(=O)(O)c1cccnc1Br	6088374	DZFSXWCQODHIDS-UHFFFAOYSA-N	238.062	1.091	0	30	BDAC	
CN(N=O)c1ncc(Br)cn1	2265381459	GGCQDXRSZZRYAG-UHFFFAOYSA-N	217.026	1.357	0	30	BDAC	
Cc1nn(CC(N)=S)c(C)c1Br	125921	GCUCQQALIUJZMT-UHFFFAOYSA-N	248.149	1.549	0	30	BDAC	
CCOC(=O)N[C@H](CO)c1ccccc1	6661969	GGXTXKPEZSYEOB-SNVBAGLBSA-N	209.245	1.466	0	30	BDAC	
C[C@](O)(C(=O)O)c1cccc(C(F)(F)F)c1	2547745	XFZJIHDLEUDRJM-SECBINFHSA-N	234.173	1.998	0	30	BDAC	
CC[C@@H](C)OC(=O)C(=O)O[C@H](C)CC	5922333	MTLJANFMXKYOAV-HTQZYQBOSA-N	202.250	1.670	0	30	BDAC	
CCOC(=O)[C@@H]1CNC[C@@H]2CCCC[C@@H]12	147370968	TVVSTLWLDOBLBA-HBNTYKKESA-N	211.305	1.575	0	30	BDAC	
CCN1CC[C@]2(C1)C(=O)Nc1ccccc12	33824253	BJKDWGHYHWIQIM-CYBMUJFWSA-N	216.284	1.602	0	30	BDAC	
Cn1cc(-c2ccccc2)nc1C(=O)O	41210997	FRIGZZQSGCLHTR-UHFFFAOYSA-N	202.213	1.785	0	30	BDAC	
O=C(O)[C@@H]1CCn2c(cnc2C(F)(F)F)C1	88613685	AOFKCEUPTSWVON-RXMQYKEDSA-N	234.177	1.549	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CNCC2(CC2)C1	149477219	VZCOYYPWOPUQOT-VIFPVBQESA-N	226.320	1.653	0	30	BDAC	
CCOC(=O)[C@@]1(F)CNC[C@@]1(C)C(F)(F)F	709740762	BNEDUBQKGUCOIP-SFYZADRCSA-N	243.200	1.430	0	30	BDAC	
C1=CN2N[C@@H](SCc3ccccc3)N=C2N=C1	953126748	IDDVQISBQUNNDY-LBPRGKRZSA-N	244.323	1.978	0	30	BDAC	
O=C(O)[C@@H]1CCc2cc3c(cc2C1=O)OCCO3	28825655	TYPSGBZEHQQYFJ-MRVPVSSYSA-N	248.234	1.288	0	30	BDAC	
CCOC(=O)Cc1c[nH]cc1C(=O)OCC	39076415	HQRMUXGEYOQXPB-UHFFFAOYSA-N	225.244	1.297	0	30	BDAC	
CCc1cc2c(=O)c(C(=O)O)c[nH]c2s1	35570237	GQQOLQPTIVDPON-UHFFFAOYSA-N	223.253	1.850	0	30	BDAC	
CC(C)(C)OC(=O)NCC[C@H](N)C(F)F	238850908	DKGFQIPALNMVSE-LURJTMIESA-N	224.251	1.494	0	30	BDAC	
O[C@@H](CF)c1cccc(Br)n1	146714820	ZOBWJUJWJMITSV-LURJTMIESA-N	220.041	1.847	0	30	BDAC	
CCC[C@@H](NC(=O)c1ccccc1)C(N)=S	42352925	BPCHAJADWLDUTN-SNVBAGLBSA-N	236.340	1.871	0	30	BDAC	in-vitro
O=C1C=CC[C@@H]2[C@@H]3CCCN4CCC[C@@H](CN12)[C@H]34	33815336	AAGFPTSOPGCENQ-RMRHIDDWSA-N	246.354	1.648	0	30	BDAC	biogenic
CN[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21	35760832	XIDWQHXAZIUIEV-MRVPVSSYSA-N	231.704	1.388	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CC[C@H]2C(=O)C[C@@H]21	202666955	PJADABYYIMBUQR-SFYZADRCSA-N	211.261	1.585	0	30	BDAC	
COc1cccc(OC)c1C[C@H](C)NN(C)C	33639140	PXMHFDMBHPVYFR-JTQLQIEISA-N	238.331	1.701	0	30	BDAC	
O=C(O)c1cnc(C2CCOCC2)s1	52175906	SBXVQXNODXBJMB-UHFFFAOYSA-N	213.258	1.735	0	30	BDAC	
COC(=O)c1cc(O)cc(OC(C)=O)c1	66325640	QNUHBQFXEUYFTM-UHFFFAOYSA-N	210.185	1.104	0	30	BDAC	
CCOc1cccc(CCNC(C)=O)c1	39099506	KDOPUOUJUGKGHC-UHFFFAOYSA-N	207.273	1.764	0	30	BDAC	
COCc1cc(Br)ccn1	202945077	ZORPPTKICHKCHP-UHFFFAOYSA-N	202.051	1.991	0	30	BDAC	in-vitro
Cc1cc(Br)cc(C(N)=O)c1O	4215099	KEYYFWXKFRRLOZ-UHFFFAOYSA-N	230.061	1.562	0	30	BDAC	in-man
CC(C)(C)OC(=O)N1CCC[C@](O)(CCN)C1	96985396	UETKEVCPINNJQN-LBPRGKRZSA-N	244.335	1.097	0	30	BDAC	
CC(C)(C)O[C@@H]1CC(=O)[C@H]1n1cccn1	238855002	QBWQIUMDPCIVHH-NXEZZACHSA-N	208.261	1.581	0	30	BDAC	
CN1CCCN(Cc2cccc(N)c2)CC1	19372028	ZSOSQWJKEPUOCI-UHFFFAOYSA-N	219.332	1.406	0	30	BDAC	in-vitro
N[C@H](C(=O)O)c1cccc(C(F)(F)F)c1F	72196485	GTKIJBKEZHNBGX-ZETCQYMHSA-N	237.152	1.929	0	30	BDAC	
OCCNCc1ccc(F)cc1C(F)(F)F	83364313	GQEMMJCUBRVLMT-UHFFFAOYSA-N	237.196	1.926	0	30	BDAC	
COc1cccc(N2CCN(C)CC2)c1	13470060	GIBGGWFWTSZAGO-UHFFFAOYSA-N	206.289	1.447	0	30	BDAC	
C[C@H]1[C@@H](C)N(N=O)[C@H](C)[C@H](C)N1N=O	6067025	OHOJWCVESZTLQZ-KVFPUHGPSA-N	200.242	1.521	0	30	BDAC	
C[C@@H](C(N)=S)N(C)C(=O)OC(C)(C)C	54139389	BVPJTUWKEXTCPC-LURJTMIESA-N	218.322	1.528	0	30	BDAC	
O=C1CC(=O)[C@@H](c2ccc(Cl)cc2)N1	238855501	SEKBLRVBQFUKMZ-SNVBAGLBSA-N	209.632	1.470	0	30	BDAC	in-vitro
C[C@H](N)c1nnc(COc2ccccc2)o1	11586249	OTDZLJKDMPXVFU-QMMMGPOBSA-N	219.244	1.668	0	30	BDAC	
COCCN[C@H]1CCCc2cccnc21	85789436	UNCJGJLUHGURAE-NSHDSACASA-N	206.289	1.695	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2O	259498313	PBUPRYWYQIUHKS-XHNCKOQMSA-N	213.277	1.377	0	30	BDAC	
CCOC(=O)[C@@H](N)[C@@H](C)c1ccc(O)cc1	260904131	IHTIEUMAABDZSF-KWQFWETISA-N	223.272	1.386	0	30	BDAC	
CCOC(=O)[C@H]1CCC(=O)C(F)(F)CC1	1535539241	SXXYDJREABSKJV-ZETCQYMHSA-N	220.215	1.944	0	30	BDAC	
Cc1cccc(S(N)(=O)=O)c1Cl	83439256	VWNXFYAFLZCBSS-UHFFFAOYSA-N	205.666	1.296	0	30	BDAC	in-vitro
CCN(CC(=O)OC(C)(C)C)C1CCNCC1	37653832	XXOUZFXNGWAPGV-UHFFFAOYSA-N	242.363	1.402	0	30	BDAC	in-vitro
CN[C@@H](Cc1ccccc1)c1nccn1C	69029139	ZZLJVAGVEBSSAC-LBPRGKRZSA-N	215.300	1.923	0	30	BDAC	
Cc1csc(=NCc2cccnc2)n1C	263613211	ZAODQVCGPFKGTM-UHFFFAOYSA-N	219.313	1.891	0	30	BDAC	
CCOC(=O)C[C@H]1COc2c(O)cccc21	261034763	GOGPFFFBUGOIRB-QMMMGPOBSA-N	222.240	1.821	0	30	BDAC	
NCC(=O)c1ccc(C(F)(F)F)nc1	238608721	DTQBEDQXYOYGNL-UHFFFAOYSA-N	204.151	1.242	0	30	BDAC	
CSCC[C@H](N)C(=O)OCc1ccccc1	34239646	BVEZTLFYEZBHOB-NSHDSACASA-N	239.340	1.810	0	30	BDAC	
COC(=O)c1cccc2c1C(=O)CCC2	34541577	QHMPIXAUILDPJX-UHFFFAOYSA-N	204.225	1.992	0	30	BDAC	
COc1ccc(CCCO)c(OC)c1OC	36439274	NVJIPXOAKYNFFE-UHFFFAOYSA-N	226.272	1.637	0	30	BDAC	
CNC[C@H](O)c1ccccc1Br	55027400	DBBJLKHXJXCZPP-VIFPVBQESA-N	230.105	1.702	0	30	BDAC	in-vitro
COC(=O)C1=CCCc2c(N)cccc21	39085283	CBXROZUMAQKZMU-UHFFFAOYSA-N	203.241	1.771	0	30	BDAC	
CCn1nc(Br)c2cncnc21	84324426	QGUXZYKVHXWXPL-UHFFFAOYSA-N	227.065	1.609	0	30	BDAC	
O=S(=O)(O)c1ccc2cnccc2c1	139388981	UUTFFQSNOBCVHW-UHFFFAOYSA-N	209.226	1.482	0	30	BDAC	
CC1(F)CC(NC(=O)OC(C)(C)C)(C(=O)O)C1	585164338	ZFYMAKSJPRSWPV-UHFFFAOYSA-N	247.266	1.857	0	30	BDAC	
CC(=C/C(=O)O)/C(=C\c1ccncc1)C(=O)O	5183460	VMOTXUYWTLORON-GOOBONSCSA-N	233.223	1.581	0	30	BDAC	
CNC(=S)N(C)C(=O)Oc1ccccc1	144495384	ZECSRWRLENECCS-UHFFFAOYSA-N	224.285	1.622	0	30	BDAC	
O=C(OCC(F)(F)F)OC1COC1	675050614	BXAMOBRCYGVPIH-UHFFFAOYSA-N	200.112	1.101	0	30	BDAC	in-vitro
CN(CCC(N)=S)C(=O)OC(C)(C)C	53294208	YXJQGJIMJWMBRI-UHFFFAOYSA-N	218.322	1.530	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CO)[C@@H]21	259258940	FWTXVHHLNWSAIQ-IWSPIJDZSA-N	213.277	1.234	0	30	BDAC	
Oc1cccc2ncc(Br)n12	259062458	BZTKRUUJMKOUDD-UHFFFAOYSA-N	213.034	1.802	0	30	BDAC	
CCn1ccnc1[C@H](N)C1CCOCC1	83719388	SCXKMOCMBYWNMM-SNVBAGLBSA-N	209.293	1.329	0	30	BDAC	in-vitro
C[Si](C)(C)CCOCO[C@H]1CCNC1	200049521	SLNDFPRFCHEGQM-JTQLQIEISA-N	217.385	1.677	0	30	BDAC	
COc1nc(SC)nc(Cl)c1C(=O)O	140546715	YQKGBKCOVMQGDJ-UHFFFAOYSA-N	234.664	1.559	0	30	BDAC	
COC(=O)CCNc1cccc(OC)c1C	888084713	GAFUHJMKMUILRQ-UHFFFAOYSA-N	223.272	1.979	0	30	BDAC	
CCOC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OCC	100335383	UXRMRBNLTQHPEU-XWLWVQCSSA-N	238.283	1.551	0	30	BDAC	
COc1cc(OC)cc(OC(=S)N(C)C)c1	21988664	JDTQLTMOLGVAOX-UHFFFAOYSA-N	241.312	1.929	0	30	BDAC	
NC[C@H]1CC12CN(Cc1ccccc1)C2	107192088	XUUDTGNQYAFYMS-GFCCVEGCSA-N	202.301	1.467	0	30	BDAC	
NC(=O)COc1nc2ccccc2s1	45236902	CHUDDYYWOUUFPN-UHFFFAOYSA-N	208.242	1.160	0	30	BDAC	
CN[C@@H](C)COc1cccc(C(=O)O)c1	2265385785	UMCPCCPZPRZRJJ-QMMMGPOBSA-N	209.245	1.372	0	30	BDAC	
CC(=O)N[C@H]1CCC(=O)c2ccccc21	39376282	YULURBVSUMMOKE-NSHDSACASA-N	203.241	1.840	0	30	BDAC	
Cc1ccc([C@@H]2CNC(=S)N2C)cc1	33895738	PBVUYLHTHWWOJQ-JTQLQIEISA-N	206.314	1.856	0	30	BDAC	
CNC(=O)Nc1cnccc1C(F)(F)F	4348018	GIOAUKAXVBCFRO-UHFFFAOYSA-N	219.166	1.852	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H](N)CC1(C)C	259115159	KYSBFBMMBVRQTB-MRVPVSSYSA-N	214.309	1.733	0	30	BDAC	
COC(=O)C[C@H](N)Cc1ccc([N+](=O)[O-])cc1	216944799	PWQKLFFSQZWPRA-SECBINFHSA-N	238.243	1.028	0	30	BDAC	
O=C(O)Cc1csc(C[C@H]2CCCO2)n1	36895567	RSIFXGTXQZHDJW-MRVPVSSYSA-N	227.285	1.492	0	30	BDAC	
CC(C)[C@@H](C)NCCCN1CCOCC1	20141701	SMVQNEQWQWNSBH-GFCCVEGCSA-N	214.353	1.343	0	30	BDAC	
COCCNc1nc(Cl)nc(Cl)n1	61053027	FSRCDPFTSUESLH-UHFFFAOYSA-N	223.063	1.237	0	30	BDAC	in-vitro
NCc1cnc(-c2cccc(O)c2)s1	40996866	UZBZJZYKLROIFW-UHFFFAOYSA-N	206.270	1.974	0	30	BDAC	
O=C(O)[C@H]1CCC[C@@](O)(C(F)(F)F)C1	107470667	QNRPSENATFLRMF-FSPLSTOPSA-N	212.167	1.555	0	30	BDAC	
CC(=O)n1sc2nc(C)cc(C)c2c1=O	160337	KGXOUAFSIHRDIX-UHFFFAOYSA-N	222.269	1.735	0	30	BDAC	
COc1cc2c(c3c1OCO3)[C@H](C)NCC2	8490345	YEGBVDVRKMCCON-ZETCQYMHSA-N	221.256	1.631	0	30	BDAC	biogenic
CN(C)C(=S)NCc1cccs1	99793	WGAFDQXTNBKUHP-UHFFFAOYSA-N	200.332	1.684	0	30	BDAC	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CN	229300913	CUDBAIMCAHHOKR-DTWKUNHWSA-N	214.309	1.591	0	30	BDAC	
Clc1cnc(C2OCCO2)c(Cl)n1	253533002	HMJROEACJSCLEX-UHFFFAOYSA-N	221.043	1.829	0	30	BDAC	
O=C(O)c1ccc(NC[C@H]2CCCO2)nc1	19845284	XWRZUKSTUINUGP-SECBINFHSA-N	222.244	1.371	0	30	BDAC	
Cc1nn(C)c2c1NC[C@@H]1CCCCN21	72266578	NDRKOYISWZTLQX-VIFPVBQESA-N	206.293	1.513	0	30	BDAC	
Nc1ncc(Br)nc1C(F)(F)F	114355432	IFSRFZMFVWYOPF-UHFFFAOYSA-N	241.998	1.840	0	30	BDAC	
Nc1nccn2ncc(Br)c12	2265383528	ABLKNZAQOZOUIF-UHFFFAOYSA-N	213.038	1.074	0	30	BDAC	
COc1c(C(N)=O)csc1Br	95837	NKBKDDRFEYVPQW-UHFFFAOYSA-N	236.090	1.618	0	30	BDAC	
CN(C)NC(=S)NCc1ccc(F)cc1	69478	WFRWDNIAEMTOKN-UHFFFAOYSA-N	227.308	1.266	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CCCC12CNC2	1554770398	BAVZQYGRHJQYDC-VIFPVBQESA-N	226.320	1.653	0	30	BDAC	
N=C(NO)[C@@H]1CCC(=O)N(CC2CCCC2)C1	1535202634	QMYYMDQKWHOHOF-SNVBAGLBSA-N	239.319	1.371	0	30	BDAC	
COc1nccc2c(Br)nn(C)c12	1536221572	PULXYDGRUILEHB-UHFFFAOYSA-N	242.076	1.739	0	30	BDAC	
CS(=O)(=O)Oc1ccc2[nH]ccc2c1	95830865	IAMXTDCFMWTBCK-UHFFFAOYSA-N	211.242	1.506	0	30	BDAC	
CC(C)OCCOCCOCCOC(C)C	34478937	AHTTUKMNYVZLFF-UHFFFAOYSA-N	234.336	1.870	0	30	BDAC	
COc1ccc2nc(Br)[nH]c2n1	575441401	MWSINXMSFGFTKP-UHFFFAOYSA-N	228.049	1.729	0	30	BDAC	
CC(C)(C(=O)O)[C@@H](N)c1ccc2c(c1)OCO2	26340436	FPSWHAWTWKQWHE-JTQLQIEISA-N	237.255	1.526	0	30	BDAC	
COc1ccccc1[C@@]12CO[C@@H](C1)[C@@H]2C(=O)O	757547706	YWTPETSTSYFLNL-LOWVWBTDSA-N	234.251	1.436	0	30	BDAC	
COCC(=O)N1CCCCCC1=S	39124745	VAGZNGNKHQMHLU-UHFFFAOYSA-N	201.291	1.363	0	30	BDAC	
CC(C)=CCC[C@@H](C)C[C@@H](O)S(=O)(=O)O	6036272	FENZKIHQZXDTDV-ZJUUUORDSA-N	236.333	1.965	0	30	BDAC	
CCOC1(OCC)CCN(C)[C@@H](C)C1	39099011	MFBRNSXIMLHTEI-JTQLQIEISA-N	201.310	1.870	0	30	BDAC	
OCc1nc(Cc2ccc(F)cc2)no1	71790860	PGYYYZOUJWLRSN-UHFFFAOYSA-N	208.192	1.292	0	30	BDAC	in-vitro
CCO[C@@H]1C[C@@H](N)[C@@H]1Oc1ccccc1	95883806	JRKQERSGLFDFAY-UTUOFQBUSA-N	207.273	1.570	0	30	BDAC	
O=C(O)C1C[C@@H]2CSC[C@H](C1)C2=O	72208604	BIABQGBXOGNDRV-DGUCWDHESA-N	200.259	1.029	0	30	BDAC	
C=CC(=O)N[C@@](C)(C(=O)O)c1ccccc1	34156452	MAEZLHVBLMEDJB-GFCCVEGCSA-N	219.240	1.289	0	30	BDAC	
CC(C)c1ccccc1C[C@@H](N)C(=O)O	44285595	VHNJMPJZDTZETC-LLVKDONJSA-N	207.273	1.764	0	30	BDAC	
CC[C@H](CC(=O)O)C(=O)OC(C)(C)C	238295071	JXRDZQISULRRIS-SSDOTTSWSA-N	202.250	1.829	0	30	BDAC	
Nc1ccccc1OC[C@@H]1CCCNC1	259675295	UODHAXXYDGLJBX-SNVBAGLBSA-N	206.289	1.647	0	30	BDAC	
COC(=O)c1sc(N)nc1[C@@H]1CCCO1	260047523	DORZLOFGROLDBM-YFKPBYRVSA-N	228.273	1.363	0	30	BDAC	
Cn1cc([C@H]2CCCN2)c(C(F)F)n1	1536142508	NPFRIIXGTHQXHW-SSDOTTSWSA-N	201.220	1.782	0	30	BDAC	
FC(F)n1cncc1I	950757461	HAAZRJUAKQAWDC-UHFFFAOYSA-N	243.982	1.883	0	30	BDAC	
CNc1cc(-c2cccnc2F)ncn1	95080373	JVFSHHQULXNBJY-UHFFFAOYSA-N	204.208	1.719	0	30	BDAC	in-vitro
COC(=O)[C@H]1[C@@H](c2ccccc2)[C@H]1CN	257901097	VSYSIAIKMCNUTM-OUAUKWLOSA-N	205.257	1.148	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC12CC(=O)C2	723453285	NOHPNCADBPHBEG-MRVPVSSYSA-N	211.261	1.633	0	30	BDAC	
COC(OC)c1ccnn1-c1ccncc1	72190444	YYXJQZCISROBSV-UHFFFAOYSA-N	219.244	1.559	0	30	BDAC	
COc1ccccc1Nc1nnns1	171874	SPAPYHBEAUIDCR-UHFFFAOYSA-N	208.246	1.685	0	30	BDAC	
O=c1[nH]cc(Br)c2[nH]cnc12	11535775	ZYZOSWDYDRRXPZ-UHFFFAOYSA-N	214.022	1.014	0	30	BDAC	
C[C@@H](O)c1nc(Br)cs1	127754303	IGNLIXUAGLRDHT-GSVOUGTGSA-N	208.080	1.959	0	30	BDAC	
CCOC(=O)c1ccc(C(=O)O)cc1C(=O)O	36449554	HQCNOZFRZSLVQS-UHFFFAOYSA-N	238.195	1.260	0	30	BDAC	
N[C@@H]1CCCCN(Cc2ccccc2)C1	38762073	BFRCNVPFOVQZSH-CYBMUJFWSA-N	204.317	2.000	0	30	BDAC	
CC(C)(C)OC(=O)NCc1ccccc1C(=N)N	96896711	JPAQRHRGYZQORQ-UHFFFAOYSA-N	249.314	1.995	0	30	BDAC	
O=C1C[C@@H]2CC[C@H](CN1)N2Cc1ccccc1	38343394	IZTSYUBBKNSBJC-QWHCGFSZSA-N	230.311	1.540	0	30	BDAC	
COC(=O)c1ccoc1CC1CCNCC1	12506134	HGRWYNXYXXYFJR-UHFFFAOYSA-N	223.272	1.608	0	30	BDAC	in-vitro
O=C1CCC[C@@H](C(F)(F)C(F)(F)F)N1	217654570	PBYATCXDVFLTMN-BYPYZUCNSA-N	217.137	1.853	0	30	BDAC	
CCOP(=O)(C[S@@](C)=O)OCC	38221270	AOXOMZRWXATGKP-LBPRGKRZSA-N	214.223	1.589	0	30	BDAC	in-vitro
COC(=O)c1cc(Cl)cc(N)c1[N+](=O)[O-]	115270314	VWAXPEIKSDVOLN-UHFFFAOYSA-N	230.607	1.617	0	30	BDAC	in-vitro
N[C@H](C(=O)O)c1ccc(OCC(F)F)cc1	216730539	PSZSOOOUJSNJBM-VIFPVBQESA-N	231.198	1.415	0	30	BDAC	
CCN(C(C)=O)c1nnc(-c2cccnc2)s1	1356780	UMXOUIXYKZRWRT-UHFFFAOYSA-N	248.311	1.973	0	30	BDAC	
O=C1NC(=O)[C@@H](c2ccc3ccccc3c2)N1	45202076	HLGCUXIRWKRNJF-LLVKDONJSA-N	226.235	1.720	0	30	BDAC	
CC1=C(C)[C@H]2[C@@H](C(=O)C1=O)[C@H]1C=C[C@H]2C1	100067761	WMUDGOYDHACLBK-MMWGEVLESA-N	202.253	1.913	0	30	BDAC	
O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1CC[C@H]2C1	100401045	DZFKSEYBTXLATN-QWRGUYRKSA-N	243.266	1.080	0	30	BDAC	
CCc1ccc(C2(O)CCNCC2)cc1	39472291	FKETVJNFMFWPJQ-UHFFFAOYSA-N	205.301	1.820	0	30	BDAC	
COC(=O)[C@H](N)[C@@H]1CCc2ccccc21	34216990	FJHKXJFEAMOZFF-GHMZBOCLSA-N	205.257	1.217	0	30	BDAC	
CN1CCC[C@@H]1[C@](C)(O)c1ccc(O)cc1	328579519	NCOJGMWSQHQPRG-CHWSQXEVSA-N	221.300	1.694	0	30	BDAC	
N[C@H](CC(=O)O)c1ccc(C(F)(F)F)nc1	44218566	MXQWHERCDAONAZ-ZCFIWIBFSA-N	234.177	1.575	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@]12CCCN[C@@H]1C2	238135382	KDYRDBVOOUHWNP-LDYMZIIASA-N	212.293	1.406	0	30	BDAC	
CCOc1oc(-c2ccccc2)nc1C(N)=O	95756158	VADKFYFJRQGHIJ-UHFFFAOYSA-N	232.239	1.839	0	30	BDAC	
CC(C)(C)OC(=O)C1(N)CC(F)(F)C1	253186539	SCODQJJSXSCMQA-UHFFFAOYSA-N	207.220	1.455	0	30	BDAC	
O=C(O)c1cc(F)c(C(=O)O)c(F)c1	114059319	OHLHLWHVHGVUCU-UHFFFAOYSA-N	202.112	1.361	0	30	BDAC	
CNC(=O)Nc1cc(C)nn1C(C)(C)C	165177	OCQQDAPLNNFEGX-UHFFFAOYSA-N	210.281	1.698	0	30	BDAC	
CC(C)(C)C(=O)Cn1nnc(-c2ccncc2)n1	93747	LMQFZQHFIUYRQH-UHFFFAOYSA-N	245.286	1.350	0	30	BDAC	
CNCCNC(=O)Nc1ccc(F)cc1	54244438	QTPPTIMXBATNMY-UHFFFAOYSA-N	211.240	1.167	0	30	BDAC	
CN(Cc1ccccc1)C(=O)C1(C(=O)O)CC1	50290075	QBXKNSDAALYPNZ-UHFFFAOYSA-N	233.267	1.510	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](C2CC2)C1	144133038	AODHHHHJHRBGHB-VHSXEESVSA-N	226.320	1.591	0	30	BDAC	
CC[Sn](O)(CC)CC	256090317	NOTHDSKXLBUIMB-UHFFFAOYSA-M	222.904	1.984	0	30	BDAC	
COC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C21CC1	710030465	DOCTYGRGGTZHAB-HXFLIBJXSA-N	222.240	1.072	0	30	BDAC	
CC(C)(C)[C@@H](C(=O)O)N1CCCCC1=O	82503219	UCAXBUGYWPXVNT-SECBINFHSA-N	213.277	1.498	0	30	BDAC	
Nc1cc(Br)nc(Cl)n1	91368457	GTUDVQHLUXUALJ-UHFFFAOYSA-N	208.446	1.475	0	30	BDAC	
CC(C)(C)NC(=O)NCc1ccncc1	136898	KZBVGIGZZJTPSY-UHFFFAOYSA-N	207.277	1.679	0	30	BDAC	
Nc1ccccc1C(=O)NCCc1ccncc1	151061	YBZXWFRHBATDJY-UHFFFAOYSA-N	241.294	1.636	0	30	BDAC	
O=C(O)c1ccccc1[C@H](O)C(F)(F)F	39054643	CVOOSIWUSKUMST-ZETCQYMHSA-N	220.146	1.981	0	30	BDAC	
CCOC(=O)N(C)C[C@H]1CCN(C)C1	82432173	MEWZBLLGKDROLN-VIFPVBQESA-N	200.282	1.026	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@H](NN)CC1	216422829	UVJNRYODEFAKAP-VIFPVBQESA-N	229.324	1.239	0	30	BDAC	
CCOc1cccc(N(CC)C(N)=O)c1	33648893	YZGHKIVQDWBQBJ-UHFFFAOYSA-N	208.261	1.990	0	30	BDAC	
Fc1cccc(Br)c1-c1nnn[nH]1	95218331	HDDNFEQBESRDTG-UHFFFAOYSA-N	243.039	1.768	0	30	BDAC	
O=C1CC[C@@H](C(=O)OCCCc2ccccc2)N1	6096159	SOIVJGYTVHDYQH-LBPRGKRZSA-N	247.294	1.441	0	30	BDAC	
CCN1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2	100262752	LRDWBDXBFHPTGD-SRVKXCTJSA-N	222.332	1.339	0	30	BDAC	
Cn1cccc1CNC[C@H](O)C(F)(F)F	4389310	QNQGSZYRUQFAMW-QMMMGPOBSA-N	222.210	1.038	0	30	BDAC	
NS(=O)(=O)C12CC3CC(CC(C3)C1)C2	140615003	FZMZGQMMYMAFEU-UHFFFAOYSA-N	215.318	1.244	0	30	BDAC	
CNNC(=S)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@H]12	252428683	VEMRIERNCZUCLY-NZHYYXIDSA-N	237.372	1.186	0	30	BDAC	
CC[C@@](CN)(C(=O)OC)c1ccccc1	75614549	LBFXXUAFPNZGHQ-LBPRGKRZSA-N	207.273	1.466	0	30	BDAC	
O=C1CN(Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1	238853518	JSFYAZUQEZPWOZ-UONOGXRCSA-N	244.338	1.930	0	30	BDAC	
COC(=O)[C@H]1C[C@H](CN)c2ccccc21	38363667	VLYNBHYMQUZEDV-KCJUWKMLSA-N	205.257	1.389	0	30	BDAC	
Cc1nnsc1C(=O)Nc1cccc(N)c1	111981	JXCKMLRGKIWEKG-UHFFFAOYSA-N	234.284	1.681	0	30	BDAC	
Cc1c(F)cc(N)c2c1CC[C@@H](N)C2=O	22007026	RPUUXMPPXRDSFF-MRVPVSSYSA-N	208.236	1.173	0	30	BDAC	
Nc1ncc(Br)nc1OC1CCC1	144562892	QWKBWXKNKGGKTQ-UHFFFAOYSA-N	244.092	1.753	0	30	BDAC	
CCOC(=O)N1C[C@H](C)C(N)[C@@H](C)C1	39084821	SHTUTXIOXCCHBW-YUMQZZPRSA-N	200.282	1.058	0	30	BDAC	
c1ccc(CN2C[C@H]3CC[C@@H]2CN3)cc1	84310668	BZCSYAXRUSXEBM-CHWSQXEVSA-N	202.301	1.623	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H]1CNC[C@H]1C(F)(F)F	299805640	YZKSISRSKGYHPE-RNFRBKRXSA-N	239.237	1.726	0	30	BDAC	
NC(=O)[C@H]1CCCN1c1cccc(O)c1Cl	207711905	KIPCCPPEANNVON-MRVPVSSYSA-N	240.690	1.500	0	30	BDAC	
CCOC(=O)c1c(OC)n[nH]c1Br	725325675	ZJUSTUCEXIQMGT-UHFFFAOYSA-N	249.064	1.358	0	30	BDAC	
O=C(O)C1(Br)CCOCC1	95883555	QEOPAXDMQKLKCF-UHFFFAOYSA-N	209.039	1.015	0	30	BDAC	in-vitro
Cc1ccc(O)c(C(=O)C=CN(C)C)c1	45008782	MKKLIEIMAOOPBV-UHFFFAOYSA-N	205.257	1.959	0	30	BDAC	
NNc1nc(-c2ccc(Cl)cc2)no1	53751377	DJKHQQIRMUDFLO-UHFFFAOYSA-N	210.624	1.676	0	30	BDAC	in-vitro
COC(C[C@H](C[C@H](C)OC)OC)OC	2013268	HESUCHCHWQCMAR-IUCAKERBSA-N	206.282	1.435	0	30	BDAC	
c1n[nH]c([C@@H]2CCCNC2)c1CN1CCCC1	216709837	GRKOVEMOVFUWIV-LLVKDONJSA-N	234.347	1.473	0	30	BDAC	
C[C@@H](CO)CN(C)C(=O)OC(C)(C)C	223157929	ANPGGENQQSVXSP-MRVPVSSYSA-N	203.282	1.482	0	30	BDAC	
c1ccc(CCNc2nnns2)cc1	118233	YNSKUACLGKDOPN-UHFFFAOYSA-N	206.274	1.588	0	30	BDAC	
CC(C)(C)OC(=O)N1CC([C@@H]2C[C@H]2C(=O)O)C1	91304587	ORZOKDMZSYZMLD-DTWKUNHWSA-N	241.287	1.574	0	30	BDAC	
CC1=C(C)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)C1=O	100067765	WMUDGOYDHACLBK-UKKRHICBSA-N	202.253	1.913	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(C(=O)O)C[C@H]12	307542369	ZDKMDPPQMCOHEX-DNSOKLHBSA-N	241.287	1.764	0	30	BDAC	
CN(C)C(=S)C[S@@](=O)C(C)(C)C	39124964	SRYDUYMXKGDBKJ-LBPRGKRZSA-N	207.364	1.423	0	30	BDAC	
C[S@@](=O)c1ncc(-c2ccc(F)cc2)nn1	216291499	CCILMPOJHQJYKU-MRXNPFEDSA-N	237.259	1.415	0	30	BDAC	
OC[C@@H]1CN(Cc2ccc(F)cc2)CCO1	15019598	UDJLSVQIAWENSE-LBPRGKRZSA-N	225.263	1.019	0	30	BDAC	
Nc1cccc(N2C(=O)CCCC2=O)c1	34939961	MNXKYPTXXDWBRC-UHFFFAOYSA-N	204.229	1.312	0	30	BDAC	in-vitro
Cc1nc(Cl)nc(N)c1Br	1766288	RROWXSDPROYXCJ-UHFFFAOYSA-N	222.473	1.783	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@H]1NC[C@@H]2C[C@H]12	102245031	UEHVMSBUAJMNRH-XHNCKOQMSA-N	212.293	1.119	0	30	BDAC	
CC(C)N(C(=O)CO)c1ccc(F)cc1	33986483	RISGISSUGUGJMO-UHFFFAOYSA-N	211.236	1.559	0	30	BDAC	
CC(C)(C)OC(=O)NCc1csc(N)n1	44029039	CCJFGPYIZZOZSC-UHFFFAOYSA-N	229.305	1.750	0	30	BDAC	
O=C(O)[C@@H](Br)C[C@@H]1CCCO1	223549347	IKKGARIRKHKGSL-WDSKDSINSA-N	223.066	1.404	0	30	BDAC	
CCCN(C)C(=O)NC[C@H](CC(C)C)C(=O)O	94705064	XEWZDDPIBLYWOG-JTQLQIEISA-N	244.335	1.785	0	30	BDAC	
C[C@H](CN(C)C(=O)c1ccccc1)C(N)=S	44413490	YNZALWGCMJFLNL-SECBINFHSA-N	236.340	1.681	0	30	BDAC	in-vitro
CN(Cc1ccc(F)cc1)[C@H]1CCNC1	51783601	VHRCKJODGMIFMA-LBPRGKRZSA-N	208.280	1.619	0	30	BDAC	
N[C@@H](CC(=O)O)c1ccc(C(F)(F)F)nc1	44218570	MXQWHERCDAONAZ-LURJTMIESA-N	234.177	1.575	0	30	BDAC	
CCNC(=O)Oc1cccc(NC(=O)OC)c1	1756305	HRKGVLTUVUHJPJ-UHFFFAOYSA-N	238.243	1.973	0	30	BDAC	
CCN1CCN(c2ccc(N)c(OC)c2)CC1	77371435	HMHILCRWXQZODU-UHFFFAOYSA-N	235.331	1.419	0	30	BDAC	
CC(C)(C)OC(=O)N1CCNC[C@@H]1C1CCC1	95752795	LYYRYDBQPSJEHS-LLVKDONJSA-N	240.347	1.995	0	30	BDAC	
CNc1nc(Cl)nc(NC2CCCC2)n1	38635785	DFAXRJSIQCUYIO-UHFFFAOYSA-N	227.699	1.921	0	30	BDAC	
Cn1cc(-c2ccc3c(n2)NCCC3)cn1	390822130	IKGPXAOIFHWNPV-UHFFFAOYSA-N	214.272	1.840	0	30	BDAC	
NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3)c1	116138071	GTWJGCZNNITLEN-CLLJXQQHSA-N	230.311	1.784	0	30	BDAC	
CN(C)CCOc1ncccc1Br	42376474	TVQBGVGCKIEKSB-UHFFFAOYSA-N	245.120	1.785	0	30	BDAC	
CC(C)CCCC[C@H](O)[C@@H]1C(=O)OC[C@H]1CO	5618742	XRKZVXDFKCVICZ-GRYCIOLGSA-N	244.331	1.345	0	30	BDAC	biogenic,in-vitro
CN(C)C=C1N=C(c2ccc(F)cc2)OC1=O	12338553	UQBDJLSCEGJZNV-UHFFFAOYSA-N	234.230	1.532	0	30	BDAC	
C1CC[C@H]2OCCOCCOCCO[C@@H]2C1	4262179	ILCAEFFUYHJPAL-VXGBXAGGSA-N	230.304	1.378	0	30	BDAC	
CC1=N[C@@H]2C=C(Br)C=CN2C1	306448599	XDETZGBMNIARKX-QMMMGPOBSA-N	213.078	1.895	0	30	BDAC	
Oc1ccn2cc(Br)nc2c1	259511714	QGQIGNNGTPUQHB-UHFFFAOYSA-N	213.034	1.802	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H]2CC[C@@H]21	690292450	STNLXBOEVNCCSZ-GUBZILKMSA-N	226.320	1.733	0	30	BDAC	
CN(C)c1cc(N(C)C)c(O)c(N(C)C)c1	5317844	KCAMLFCTSSYIFW-UHFFFAOYSA-N	223.320	1.590	0	30	BDAC	
COC(=O)[C@@H]1CCc2ccc(Cl)nc21	114822362	KJCIVRBVOGWLFR-SSDOTTSWSA-N	211.648	1.938	0	30	BDAC	
COc1cc(OC)c2c(C(=O)O)[nH]nc2c1	14983280	MLZMWHRPYMZVCF-UHFFFAOYSA-N	222.200	1.278	0	30	BDAC	in-vitro
N[C@@H]1Cc2cccc(Br)c2C1	60071393	JDFSFDXKDBGOEZ-SSDOTTSWSA-N	212.090	1.875	0	30	BDAC	
CC(=O)OCc1ccc(CC(=O)O)cc1	34499304	WTGLCAJZNIBTQQ-UHFFFAOYSA-N	208.213	1.377	0	30	BDAC	
CC[C@@H](CNC)NC(=O)OC(C)(C)C	213847270	CPSNFVCRCHVXIF-QMMMGPOBSA-N	202.298	1.509	0	30	BDAC	
NC[C@H](O)c1cccc(F)c1Br	84526528	PZRPRTJKIOFVMI-ZETCQYMHSA-N	234.068	1.580	0	30	BDAC	
COc1ncc(I)s1	642886322	BJXYUVVOTHWELC-UHFFFAOYSA-N	241.053	1.756	0	30	BDAC	
C[C@@H]1NCC[C@H]1OC(=O)c1ccccc1	536958233	XNEPWALWHOJHLN-GXSJLCMTSA-N	205.257	1.594	0	30	BDAC	
COC(=O)[C@@H]1CCC[C@H](C(=O)O)CC1	757066044	ABJBVSOIDOQQRW-JGVFFNPUSA-N	200.234	1.441	0	30	BDAC	
CCO[C@@H]1CCCC[C@H]1NC(=O)OC	39099063	HBTSBXSQSNRCFD-RKDXNWHRSA-N	201.266	1.690	0	30	BDAC	
CCn1cc([C@@H]2OCC[C@H]2C(=O)O)cn1	234222641	NONCPJOZOLMXFK-BDAKNGLRSA-N	210.233	1.065	0	30	BDAC	
COC(=O)c1coc(Br)c1	78388593	DDCVXKKLSQNHIK-UHFFFAOYSA-N	205.007	1.829	0	30	BDAC	
CC[C@H]1CN(CC(C)(C)O)[C@@H](CC)CN1	83117736	VACVPDFFRSEHPU-QWRGUYRKSA-N	214.353	1.220	0	30	BDAC	in-vitro
C[C@H](CO)CN(C)C(=O)OC(C)(C)C	223157878	ANPGGENQQSVXSP-QMMMGPOBSA-N	203.282	1.482	0	30	BDAC	
CCOC(=O)C[C@]1(O)N=C(C)C=C(C)N1CC	514278269	TUIMYEQPZSVIEX-LBPRGKRZSA-N	240.303	1.286	0	30	BDAC	
O=C(O)[C@@H](F)c1nc(F)c(F)cc1F	2265384616	BEWHOCLRAYSPKG-BYPYZUCNSA-N	209.098	1.594	0	30	BDAC	
O=C(O)[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1	158017	RDZZYCFISJESTF-LLVKDONJSA-N	245.278	1.087	0	30	BDAC	
COC(=O)[C@@H](N)c1ccccc1OC(F)(F)F	37514749	YJCUCGHEHDNFQL-QMMMGPOBSA-N	249.188	1.758	0	30	BDAC	in-vitro
Cc1ccc(-c2cc3n(n2)CCNC3)cc1	84479298	KJSKCGQGOHCKKQ-UHFFFAOYSA-N	213.284	1.962	0	30	BDAC	
NCCN(CCO)Cc1cccc(Cl)c1	261587632	RWEOLEBVDULIPD-UHFFFAOYSA-N	228.723	1.093	0	30	BDAC	
Cn1ncc(-c2cccc(N)n2)c1Cl	703254154	AKZXMXSAHSEWOV-UHFFFAOYSA-N	208.652	1.718	0	30	BDAC	
C[C@@H]1CNC[C@@H]1CNC(=O)OC(C)(C)C	39093813	CEFJWUXTHLISAP-RKDXNWHRSA-N	214.309	1.367	0	30	BDAC	
COCc1csc(N)c1C(=O)OC	34758761	IIRCGSQSPSUWAS-UHFFFAOYSA-N	201.247	1.263	0	30	BDAC	in-vitro
CN(C[C@H]1C[C@@H](O)C1)C(=O)OC(C)(C)C	703732350	KKKMFQGBTLEZTR-DTORHVGOSA-N	215.293	1.624	0	30	BDAC	
COCC(=O)CCCNC(=O)OC(C)(C)C	97053430	OKSBJHNBTRPOPJ-UHFFFAOYSA-N	231.292	1.507	0	30	BDAC	
c1ccc2c(c1)CNC[C@@]1(CCOC1)O2	950757445	DTPQOLDZVVITGV-GFCCVEGCSA-N	205.257	1.328	0	30	BDAC	
O=C(O)[C@]1(c2cccc(F)c2)C[C@@H]1CO	132805557	VZIJCFPIZIUSON-KCJUWKMLSA-N	210.204	1.160	0	30	BDAC	
COCc1noc(-c2cccc(N)c2C)n1	45894394	VNDWUNZFQBLSPD-UHFFFAOYSA-N	219.244	1.774	0	30	BDAC	in-vitro
O[C@H]1CCCN[C@@H]1CCc1ccccc1	75130779	MEMLNRRWCTXOSH-OLZOCXBDSA-N	205.301	1.732	0	30	BDAC	
CCOC(=O)[C@@H]1CNc2cc(F)ccc2O1	90470895	NHOMLOLSDHZKLL-JTQLQIEISA-N	225.219	1.562	0	30	BDAC	
CCOc1nc2ccccc2c2nnnn12	39100146	HXWZQMYEFIRUJO-UHFFFAOYSA-N	215.216	1.071	0	30	BDAC	
COc1ccc2c(c1)-c1n[nH]c(C(=O)O)c1C2	82347956	DGKHPWWXQHYZLE-UHFFFAOYSA-N	230.223	1.688	0	30	BDAC	
CCCC[C@@H](C[C@@H](C)C(=O)O)C(=O)O	140345237	PAOWIXJMMCDIPE-SFYZADRCSA-N	202.250	1.988	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CN	257835848	IQRRHMJDTILEKX-JGVFFNPUSA-N	200.282	1.106	0	30	BDAC	
CN(C)CC(C)(C)COB1OCC(C)(C)CO1	195778249	SJHZQZRZOQXGAB-UHFFFAOYSA-N	243.156	1.649	0	30	BDAC	
COC(=O)[C@@H]1C[C@@H](C(F)(F)F)CCC1=O	261508325	RKXNVWAQNWFPEV-NTSWFWBYSA-N	224.178	1.707	0	30	BDAC	
Nc1ncnc2c1ncn2Cc1cccc(F)c1	110618443	OSPPGDFSOGSIAD-UHFFFAOYSA-N	243.245	1.596	0	30	BDAC	
COC(=O)c1nc2cc(Cl)ccc2nc1O	34764774	JEMSWXCHROUUQK-UHFFFAOYSA-N	238.630	1.775	0	30	BDAC	
Cc1ncsc1CN1CC[C@@H](N)[C@@H](C)C1	221451454	ZGGBOVXSOJOKKA-WCBMZHEXSA-N	225.361	1.621	0	30	BDAC	
COc1cc(C(=O)O)cc2cn(C)nc12	257852164	MWLYZICFLQFYRQ-UHFFFAOYSA-N	206.201	1.280	0	30	BDAC	
CCOC(=O)c1ccc2ccc(N)cn12	261331789	VNJJPKMXWVMSLA-UHFFFAOYSA-N	204.229	1.698	0	30	BDAC	
COc1nn(C)cc1I	669367627	AIDXGISQQWFIIP-UHFFFAOYSA-N	238.028	1.033	0	30	BDAC	
O=C(O)c1ncccc1NCC1CCC1	131845666	XNPREPWSSRFPKE-UHFFFAOYSA-N	206.245	1.992	0	30	BDAC	
FC(F)(F)c1ccn(C2CCNCC2)n1	43298972	ITNXUYZIQBGQFA-UHFFFAOYSA-N	219.210	1.826	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CNC2	105641719	IOJANHDPMBVRLJ-JOYOIKCWSA-N	226.320	1.653	0	30	BDAC	
FC(F)(F)COc1ncnc2[nH]cnc12	4430314	DIWYLTCCAAMWNB-UHFFFAOYSA-N	218.138	1.294	0	30	BDAC	
c1ccc(OCCCOC2CNC2)cc1	62809949	BUDYVDBVQOWWCD-UHFFFAOYSA-N	207.273	1.444	0	30	BDAC	in-vitro
CC(=O)N1C(=O)NC(=O)[C@@]12CCCC[C@H]2C	6030861	IAEOUKDLBPACNG-HQJQHLMTSA-N	224.260	1.034	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H](N)C[Si](C)(C)C	700292562	WAXDDQPMCDCJPE-QMMMGPOBSA-N	217.385	1.994	0	30	BDAC	
CC1(C)O[C@@H]2[C@H](O1)c1ccccc1[C@H](N)[C@H]2O	2265351904	MXBSYWXVJDKRJV-QCNOEVLYSA-N	235.283	1.254	0	30	BDAC	
O=C(O)Cc1n[nH]c2cccc(Cl)c12	35569843	PBVHJISHNFDXRQ-UHFFFAOYSA-N	210.620	1.843	0	30	BDAC	
CC(C)Cn1cnc(Br)n1	146673583	RQNHYACLKRDKMF-UHFFFAOYSA-N	204.071	1.697	0	30	BDAC	
CC(C)(C)C1=NN2C(=N)CC(=O)N=C2S1	4300678	DVHPNVIKNJUBAL-UHFFFAOYSA-N	224.289	1.658	0	30	BDAC	
OC[C@@H](O)CNc1cccc2ccccc12	33605729	FFDICKQFLGMKFP-NSHDSACASA-N	217.268	1.605	0	30	BDAC	
CSc1nsc(SC)c1-c1nn[nH]n1	4389430	XXEXPXRVSWVUJW-UHFFFAOYSA-N	245.358	1.767	0	30	BDAC	
N[C@@H](Cc1cc(Cl)cnc1Cl)C(=O)O	238607712	GDIYOHWPOXSNLN-LURJTMIESA-N	235.070	1.343	0	30	BDAC	
CCOC(=O)[C@H](C(C)=O)C(=O)c1ccco1	100113905	FMWDBBDGFITFLO-SECBINFHSA-N	224.212	1.231	0	30	BDAC	
CCOC(=O)[C@@H]1C[C@@H](C(F)(F)F)CCN1	716768560	LYYMARWKSIBKPA-BQBZGAKWSA-N	225.210	1.480	0	30	BDAC	
Nc1nc(N)c2cc(C(F)(F)F)ccc2n1	5728943	MWOLOLRELISBGS-UHFFFAOYSA-N	228.177	1.813	0	30	BDAC	
CC1(C)OC[C@@H]([C@H](O)Cc2ccccc2)O1	4293827	FFKVHXYMWXJVNT-NEPJUHHUSA-N	222.284	1.742	0	30	BDAC	
Oc1cc2c(cc1Br)CNCC2	216325158	DNCKEFYMFSRBHE-UHFFFAOYSA-N	228.089	1.800	0	30	BDAC	
CC(=O)[C@H]1C(=O)c2ccccc2N(C)C1=O	19202172	GOYNGPKEBDKGPA-JTQLQIEISA-N	217.224	1.051	0	30	BDAC	
COC(=O)c1c(C)n[nH]c1-c1ccno1	122310	ATKIWUMRVKGZOO-UHFFFAOYSA-N	207.189	1.160	0	30	BDAC	in-vitro
CCOC(=O)c1cc2cc(C(N)=O)ccc2[nH]1	45287075	HNSDWMLOQWSYEZ-UHFFFAOYSA-N	232.239	1.444	0	30	BDAC	in-vitro
CSc1nnc([S@](C)=O)c2c1CCC2	21995345	VUXXCVWHUXQPFJ-CQSZACIVSA-N	228.342	1.425	0	30	BDAC	
NC(=O)c1sc(Br)cc1F	514265740	QRGMOXPXHJBQRF-UHFFFAOYSA-N	224.054	1.749	0	30	BDAC	
CN(C(=S)S(C)(=O)=O)c1ccccc1	1562778	NDILGLQYAHBNLY-UHFFFAOYSA-N	229.326	1.452	0	30	BDAC	
COC(=O)c1nccc(Br)c1O	231171522	MBQNMLIBPKTDMP-UHFFFAOYSA-N	232.033	1.336	0	30	BDAC	in-vitro
O=C(O)[C@H]1[C@H]2C[C@@]1(c1cccc(F)c1)CO2	757546109	SMVCSRRMMCMVBR-FOGDFJRCSA-N	222.215	1.567	0	30	BDAC	
CC(C)(N)CCN1CCN(c2ccccc2)CC1	75792583	OUXJQMXQYFBOKL-UHFFFAOYSA-N	247.386	1.936	0	30	BDAC	in-vitro
CCCCn1c(O)cc(C)c(NC=O)c1=O	100253100	ZTPIYFYRPBXRII-UHFFFAOYSA-N	224.260	1.231	0	30	BDAC	
c1ccc([C@@H]2CN[C@@H]3CCOC[C@H]32)cc1	238856560	WGGHLOAPDUROBO-RWMBFGLXSA-N	203.285	1.779	0	30	BDAC	in-vitro
O=S1(=O)C[C@H](O)c2c(Cl)cccc21	1536219965	ZFJFWYOMDUHBKI-LURJTMIESA-N	218.661	1.161	0	30	BDAC	
C[S@](=O)c1ccc(C2CCNCC2)cc1	44138776	WJGBOLJHUKMNLC-OAHLLOKOSA-N	223.341	1.891	0	30	BDAC	
C=CC1=CCCN(C(=O)C(F)(F)F)C1	221754464	YDQTVPCLQHMVFL-UHFFFAOYSA-N	205.179	1.893	0	30	BDAC	
CCc1nccnc1-c1cc(C)nc(N)n1	95935422	HSLYYSQYTUPHFU-UHFFFAOYSA-N	215.260	1.387	0	30	BDAC	
COC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O	141783178	DZSWWZASZDLNHB-VIFPVBQESA-N	243.303	1.459	0	30	BDAC	
CCOC(=O)C(=O)c1c(C)nc2ccccn12	95882066	ZBMNHCYFNHVYCG-UHFFFAOYSA-N	232.239	1.389	0	30	BDAC	in-vitro
c1ccc([C@@H]2CN[C@@H]3CCOC[C@@H]32)cc1	238856562	WGGHLOAPDUROBO-YNEHKIRRSA-N	203.285	1.779	0	30	BDAC	in-vitro
COc1cccc(N2CCC[C@@H](N)C2=O)c1	68575439	GNUGZFZZLCOVEF-LLVKDONJSA-N	220.272	1.149	0	30	BDAC	in-vitro
OCc1nc2ccccc2n1[C@H]1CCNC1	76078865	BIADZUFWLPCKIW-VIFPVBQESA-N	217.272	1.063	0	30	BDAC	
Cc1cc(-c2nc(C(N)=O)co2)ccn1	1540379895	KRIVPPSCFPQDOH-UHFFFAOYSA-N	203.201	1.144	0	30	BDAC	
CC(C)(C)OC(=O)NCC[C@H]1CNCCCO1	76688674	IWTPDVLZZDQEJC-JTQLQIEISA-N	244.335	1.280	0	30	BDAC	
CCN[C@H]1CS(=O)(=O)c2ccccc21	35687818	LTMBFZGPQJDUIM-VIFPVBQESA-N	211.286	1.125	0	30	BDAC	
O=C1CC=NN2C(=N1)Nc1ccccc12	95923146	DTTXEYQESNOYTA-UHFFFAOYSA-N	200.201	1.191	0	30	BDAC	
CC(C)(C)OC(=O)NC1(C(=O)O)CSC1	306769582	FOYHWFTWLXXFFE-UHFFFAOYSA-N	233.289	1.081	0	30	BDAC	
O=C(O)Cn1cc(-c2ccccc2)cn1	40543279	BLHJEYXABKCPQW-UHFFFAOYSA-N	202.213	1.635	0	30	BDAC	
CN(C)C[C@@H](CC(=O)O)c1ccccc1	76583948	WLALEFFEISDVLQ-LLVKDONJSA-N	207.273	1.807	0	30	BDAC	
N[C@H]1CCc2cc(Br)cnc21	95803671	XOOHYQNMUBSEIR-ZETCQYMHSA-N	213.078	1.790	0	30	BDAC	
NC[C@H](C[C@H](O)c1ccc(Cl)cc1)C(=O)O	6093258	TWCFJIPRJZKMBG-WPRPVWTQSA-N	243.690	1.423	0	30	BDAC	
CN(C)C1=CC=C(S(C)(=O)=O)CCCC1	33845536	YHYBGEQXZRCALS-UHFFFAOYSA-N	229.345	1.934	0	30	BDAC	
c1ccc(CN2CC[C@@H]3OCCN[C@@H]3C2)cc1	76679468	NQOZBPSEWFZGRL-KGLIPLIRSA-N	232.327	1.249	0	30	BDAC	
NCCOc1ccccc1OCC(F)(F)F	82048441	JPPUDOMDSLXWNA-UHFFFAOYSA-N	235.205	1.965	0	30	BDAC	
COCCCOC[C@@H](C)OCCCOC	223501668	QZSNERBSZLXZSS-LLVKDONJSA-N	220.309	1.481	0	30	BDAC	
COC(=O)[C@H]1Cc2c(Cl)cccc2CN1	82786228	ZJIFMIBVOWFPPG-SNVBAGLBSA-N	225.675	1.527	0	30	BDAC	
CCOC(=O)C[C@H](N)c1ccc(OC)nc1	33975662	KQTCODLWVJHUAX-VIFPVBQESA-N	224.260	1.043	0	30	BDAC	
C[C@@H](N)c1nnc(COc2ccccc2)o1	11586247	OTDZLJKDMPXVFU-MRVPVSSYSA-N	219.244	1.668	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(N)=S	238123262	OFGDUYOUGGQWAV-NKWVEPMBSA-N	248.323	1.620	0	30	BDAC	
CCOC(=O)c1cnn(CC(C)(C)O)c1C	705030348	QNCGFUSXDMSPSS-UHFFFAOYSA-N	226.276	1.139	0	30	BDAC	
CCCS(=O)(=O)c1csc(C(=O)O)c1N	6274283	GLGDZBUCEUWQMJ-UHFFFAOYSA-N	249.313	1.212	0	30	BDAC	
CCO[C@H]1C[C@H](OC)C(CO)=C(C)O1	39099172	IOYNVLMBKHYICC-VHSXEESVSA-N	202.250	1.051	0	30	BDAC	
CC(=O)N1C[C@@]2(C[C@@H]3O[C@@H]3C2)[C@H]1C(C)C	669371681	PPDQDCUQEYLFEM-WRWGMCAJSA-N	209.289	1.421	0	30	BDAC	
O=C1CC[C@H](CNCc2ccccc2)N1	19087848	HPAUTESKHRLFMY-LLVKDONJSA-N	204.273	1.055	0	30	BDAC	
CC(C)(C)OC(=O)C1(C2(O)CCNCC2)CC1	206201539	DJQZQCBJYFSBJE-UHFFFAOYSA-N	241.331	1.223	0	30	BDAC	
N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1	42582145	QQMTUQTWFLOFJS-LURJTMIESA-N	228.654	1.543	0	30	BDAC	
COC(=O)C[C@H](N)Cc1ccccc1F	199598959	LUFWWNKMQMBNRA-SECBINFHSA-N	211.236	1.259	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@@H]2N	238140175	BYSRAGCGOQPDAF-BBBLOLIVSA-N	226.320	1.733	0	30	BDAC	
N[C@H]1CCCC[C@H]1Nc1ncc(Cl)cn1	95072211	KHQPTAHFOZAQNV-DTWKUNHWSA-N	226.711	1.812	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@]1(C2CC2)CCNC1	306541217	SHLHTQHDZRAKDF-CYBMUJFWSA-N	240.347	1.901	0	30	BDAC	
CNC[C@@H]1C[C@H](F)CN1Cc1nccs1	238853206	IQFHUMHLRZEQCV-IUCAKERBSA-N	229.324	1.275	0	30	BDAC	
CCOC(=O)c1nnc(C(F)(F)F)s1	238285670	CUMUJMJWAUMTRU-UHFFFAOYSA-N	226.179	1.734	0	30	BDAC	
O=C1C[C@H](O)CCN1Cc1ccccc1	196161718	MSOZDGCODQNTAR-LLVKDONJSA-N	205.257	1.170	0	30	BDAC	
O=[N+]([O-])C1=C[C@H]2C(Cl)=NC=N[C@H]2C=C1F	607717061	UFJXTOPXCCIMNX-XINAWCOVSA-N	229.598	1.678	0	30	BDAC	
Cc1ccc([C@]2(O)C[C@@H](C(=O)O)C2)cc1	498036370	DTJYXQULPNPMMP-WVSHTKLVSA-N	206.241	1.677	0	30	BDAC	
Cn1cc(CCNC(=O)OC(C)(C)C)cn1	40442551	VNJZIYNKZHFKGE-UHFFFAOYSA-N	225.292	1.487	0	30	BDAC	
C[C@]12C[C@H](O)[C@H](O)C[C@@]1(C)[C@H]1CC[C@H]2O1	606574806	ZKTAEPUJVDEYKB-IXXAWXHISA-N	212.289	1.076	0	30	BDAC	
Cc1ccc(Cl)cc1NC(=S)NCCO	3180552	AIYMHENWNBORNM-UHFFFAOYSA-N	244.747	1.927	0	30	BDAC	
O=C(O)c1ccc(O)nc1Br	306779519	XDEFTPDCDRIZFL-UHFFFAOYSA-N	218.006	1.248	0	30	BDAC	
CC(C)(C)OC(=O)n1ccc2c1CNCC2	84248451	PBKDBLUHEXVHTM-UHFFFAOYSA-N	222.288	1.917	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H]1CNC[C@H]1C1CC1	675050587	BLGXXHUWLGPVMB-VHSXEESVSA-N	211.305	1.574	0	30	BDAC	
COc1ccc([C@H]2CC(C)=NN2C(N)=O)cc1	32171314	AWAJYAWAONICJE-LLVKDONJSA-N	233.271	1.897	0	30	BDAC	
Cc1nn(-c2ccncc2)cc1C(=O)O	35779454	FQKTYARPJRYXKL-UHFFFAOYSA-N	203.201	1.274	0	30	BDAC	
CCOC(=O)c1cc(O)nc2cccnc12	584615807	GZSBLACDJDIRGS-UHFFFAOYSA-N	218.212	1.512	0	30	BDAC	
O[C@@H]1C(=Cc2ccccn2)N2CCC1CC2	2265235839	RHDRPGLZVOJIJQ-ZDUSSCGKSA-N	216.284	1.509	0	30	BDAC	
CC(=C/C(=O)O)/C(=C\c1cccnc1)C(=O)O	5183442	ZCEHWVZTWVHJOZ-YBMVAOSUSA-N	233.223	1.581	0	30	BDAC	
CC(C)(C)OC(=O)N1[C@H](CN)C[C@H]2OCC[C@@H]21	757122927	OIMPGVGLMDMDKP-LPEHRKFASA-N	242.319	1.112	0	30	BDAC	
Cn1cnnc1CCNc1ccc(C(=O)O)cc1	109425787	WSLTWKHANIXKDB-UHFFFAOYSA-N	246.270	1.168	0	30	BDAC	
Cc1cc(C(=O)O)c(C)n1-c1ccn(C)n1	37471672	PPIOIPPXESWTRF-UHFFFAOYSA-N	219.244	1.526	0	30	BDAC	
C[C@@H](C(=O)O)c1cnn(C)c1C(F)(F)F	83306712	NRFGXKHNYRKRNX-SCSAIBSYSA-N	222.166	1.627	0	30	BDAC	
CCOC(=O)/C(C)=C/CBr	36456383	VKFMOZPLJUSLLU-GQCTYLIASA-N	207.067	1.891	0	30	BDAC	
CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCCN1	14657901	KIZBVHDOAPBRLH-QMMMGPOBSA-N	228.292	1.180	0	30	BDAC	
COC(=O)c1ccc(F)c(OC)c1C#N	396168912	SNZDTVQWVZHSHH-UHFFFAOYSA-N	209.176	1.493	0	30	BDAC	
C[C@H]1COC(=O)[C@H]1NC(=O)OC(C)(C)C	213824816	BCLBUZPBCTWGNG-BQBZGAKWSA-N	215.249	1.073	0	30	BDAC	
OCc1sncc1I	2265385066	VUXIXGREOWRIQL-UHFFFAOYSA-N	241.053	1.240	0	30	BDAC	
N[C@H]1CN(C(=O)Oc2ccccc2)CC12CC2	90411587	ZNEKCVPQWWZGEM-NSHDSACASA-N	232.283	1.609	0	30	BDAC	
CCOC(=O)[C@@H]1CCOc2ccccc2O1	71973266	NPNSQIUIAOONIQ-NSHDSACASA-N	222.240	1.780	0	30	BDAC	
C[C@@H](N)C(C)(C)NC(=O)OC(C)(C)C	83591938	KWXYYVJRXOWPAP-SSDOTTSWSA-N	202.298	1.637	0	30	BDAC	
COC(=O)[C@@H](O)c1cccc(Cl)c1C	258036527	KVCHYNNVRRUOPE-VIFPVBQESA-N	214.648	1.855	0	30	BDAC	
Clc1nccc(N[C@H]2CCCOC2)n1	71024602	SMEWBGPILUISCA-ZETCQYMHSA-N	213.668	1.721	0	30	BDAC	in-vitro
CCCn1c(=O)oc(=O)c2ccccc21	5234841	GGMJXZRDZQXNSI-UHFFFAOYSA-N	205.213	1.365	0	30	BDAC	in-vitro
COC(CCNc1cc(C)ccn1)OC	15042373	MOJWSGHTTKSBPR-UHFFFAOYSA-N	210.277	1.811	0	30	BDAC	
O=C(O)[C@H]1CCCC2(CCOCC2)O1	306167665	DZABLDNOGABVGU-MRVPVSSYSA-N	200.234	1.189	0	30	BDAC	
OCC(CO)c1ccccc1Br	86371429	DRALTOMIFDUMSL-UHFFFAOYSA-N	231.089	1.517	0	30	BDAC	in-vitro
CCOC(=O)CN1CCC(F)(F)CC1	95774674	MGFRWRSSKGDZQK-UHFFFAOYSA-N	207.220	1.281	0	30	BDAC	
COc1ccc([C@H]2[C@H](CO)CCC(=O)N2C)cc1	68575666	MKOORXKZEHGBSM-FZMZJTMJSA-N	249.310	1.597	0	30	BDAC	in-vitro
Cn1cccc1CNC[C@@H](O)C(F)(F)F	4389311	QNQGSZYRUQFAMW-MRVPVSSYSA-N	222.210	1.038	0	30	BDAC	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1	307526738	IPQYEIDFNYVNKF-OPRDCNLKSA-N	228.336	1.992	0	30	BDAC	
CCCC[C@H](CC)[C@@H]1OC[C@@H](CO)O1	31702554	VNMRSUHVTDURNJ-HBNTYKKESA-N	202.294	1.937	0	30	BDAC	
CC(C)C(=O)Nc1cc(C(=O)O)ccn1	79701894	FYPFBEARWKNLOA-UHFFFAOYSA-N	208.217	1.374	0	30	BDAC	
COc1cc2c(F)cc(F)cc2[nH]c1=O	32914930	FBLJYOIUPXXQAI-UHFFFAOYSA-N	211.167	1.815	0	30	BDAC	
COC(=O)[C@@H]1CC(C)(C)N([O])C1(C)C	100116642	MZCJOXPCRWIKNU-ZETCQYMHSA-N	200.258	1.384	0	30	BDAC	
Cc1ccc([C@H](CN)N2CCOCC2)s1	36906717	SHUIZRBEIRLXDQ-JTQLQIEISA-N	226.345	1.389	0	30	BDAC	in-vitro
Nc1nc2cc(C(F)(F)F)ccc2n1N	22000718	VBBGKLUTNVYVCG-UHFFFAOYSA-N	216.166	1.351	0	30	BDAC	
CC(C)C[C@@H](CN)CC(=O)OCCOC(C)C	88273488	AESNNDOEDQNWKV-GFCCVEGCSA-N	245.363	1.966	0	30	BDAC	
O=C(O)c1ccc(-c2ccncc2)nc1	47214424	IPTNXNQDWPFXQB-UHFFFAOYSA-N	200.197	1.842	0	30	BDAC	
NCc1cnc(Cc2cccc(O)c2)s1	258094472	NBJYGLLFQJABNO-UHFFFAOYSA-N	220.297	1.898	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2C(N)[C@H]2CC1	84233027	UHQBDBQLFKCXAA-IUCAKERBSA-N	226.320	1.591	0	30	BDAC	
CCOC(=O)c1ccc(NCC(=O)NC)cc1	1999907	LHTLHMKLDVSLQT-UHFFFAOYSA-N	236.271	1.021	0	30	BDAC	
Cn1ccc([C@H](N)c2ccc(F)cc2)n1	83573621	RFROTZNQHGIQJF-LLVKDONJSA-N	205.236	1.607	0	30	BDAC	in-vitro
OC[C@@]1(Cc2ccc(F)cc2)CCNC1	85042194	RBMGBWISOFISNU-GFCCVEGCSA-N	209.264	1.340	0	30	BDAC	in-vitro
CC1=C(C)C(=C2N=NN=N2)C(=O)N(C)N1	308537094	GJOVKKAIQJLYFM-UHFFFAOYSA-N	206.209	1.302	0	30	BDAC	
O=c1cc(O)nc(COc2ccccc2)[nH]1	39100410	UZBGEQWBNLLGLD-UHFFFAOYSA-N	218.212	1.055	0	30	BDAC	
CCOC(=O)[C@H](N)[C@H](C)c1ccc(OC)cc1	260734529	FDTJMWPMVHSUAM-BXKDBHETSA-N	237.299	1.689	0	30	BDAC	
O=C1CCC[C@H](c2ccc(C(=O)O)cc2)N1	210729503	AYRHNMAHEPZWTR-SNVBAGLBSA-N	219.240	1.726	0	30	BDAC	
CC1(C)CNCc2cnn(-c3ccncc3)c2C1	536948696	CTKFHZUJRKIZNB-UHFFFAOYSA-N	242.326	1.939	0	30	BDAC	
Nc1ccn(CCOCC(F)(F)F)n1	49311140	JUCKDMKZEHTOTN-UHFFFAOYSA-N	209.171	1.044	0	30	BDAC	
NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1	62705855	QKKOAZYOGVEDSP-ZETCQYMHSA-N	219.206	1.214	0	30	BDAC	in-vitro
O=C(Nc1ccc(C(=O)O)[nH]1)c1ccccc1	139729539	CPVQZVFJWUUKFK-UHFFFAOYSA-N	230.223	1.965	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H]2CC[C@H]21	690292455	STNLXBOEVNCCSZ-LPEHRKFASA-N	226.320	1.733	0	30	BDAC	
CCOC(=O)[C@@H](C)CC(OCC)OCC	74942787	ZZRDYXBGXJBMFQ-VIFPVBQESA-N	218.293	1.975	0	30	BDAC	
CC(C)(C)OC(=O)NCC[C@]1(O)CCCNC1	214447883	DQDKZMOVMYXPGV-GFCCVEGCSA-N	244.335	1.016	0	30	BDAC	
COC(=O)[C@@H](CN)c1c[nH]c2ccccc12	21990074	SXWBIFYGTMDPFI-VIFPVBQESA-N	218.256	1.383	0	30	BDAC	
C[C@H](CC(=O)NCCN(C)C)c1ccccc1	2000811	KOPLYSURUCFZLM-GFCCVEGCSA-N	234.343	1.858	0	30	BDAC	
C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(F)(F)F	139065740	HIVJJBUFQGEXBV-WDSKDSINSA-N	243.225	1.823	0	30	BDAC	
CN1CCN(Cc2ccc(N)c(F)c2)CC1	63011156	AHAMLBSUQHTYFI-UHFFFAOYSA-N	223.295	1.155	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=N)=O)C1	584646086	JYOPAUPKXFQZPE-PWJLMRLQSA-N	248.348	1.672	0	30	BDAC	
Cc1nn(C2COC2)c(C)c1Br	257821210	AXSCIXPTJGGSEB-UHFFFAOYSA-N	231.093	1.834	0	30	BDAC	
N#Cc1nc2ccc(NCC(=O)O)cc2s1	382772003	PYEKYSSNAOGWIN-UHFFFAOYSA-N	233.252	1.664	0	30	BDAC	
COC(=O)CCCCC(=O)C(F)(F)F	59075775	RCVNOYFOKLEMRY-UHFFFAOYSA-N	212.167	1.851	0	30	BDAC	
Nc1cccc(Cl)c1S(=O)(=O)O	146126771	ACHUDPKPXIEHAD-UHFFFAOYSA-N	207.638	1.169	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC([C@@H](F)CO)CC1	66351503	QGEYVOBSVRXLBI-JTQLQIEISA-N	247.310	1.964	0	30	BDAC	
CN[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1	95347655	WZYNYEJNHUTUMN-GXTWGEPZSA-N	234.343	1.495	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CCN[C@@H](CF)C1	107257028	WRGHYGKAWWZCLN-QMMMGPOBSA-N	218.272	1.165	0	30	BDAC	
CCN(CCNC(C)=O)c1cccc(C)c1	60794594	ZPEDSBOBSNNATM-UHFFFAOYSA-N	220.316	1.957	0	30	BDAC	
Brc1cc2n(n1)CCOC2	257817880	CLNUTDXTIYSRIG-UHFFFAOYSA-N	203.039	1.176	0	30	BDAC	
NC(=O)Nc1ccc(O)c(C(F)(F)F)c1	230462359	WJYSKHAHATWXAB-UHFFFAOYSA-N	220.150	1.902	0	30	BDAC	
COC(=O)c1ccc2c(c1)[C@@H](C)NCC2	60053734	FECPVEISYOJZBN-MRVPVSSYSA-N	205.257	1.680	0	30	BDAC	
CC(C)(C)OC(=O)NCCCC[C@H](N)CO	146955565	PKQRDACDTZZJTB-VIFPVBQESA-N	232.324	1.001	0	30	BDAC	
c1cncc(CN2CCC([C@@H]3CCNC3)CC2)c1	71751482	XVKLBIHHYYUJMV-OAHLLOKOSA-N	245.370	1.903	0	30	BDAC	
CC(=O)OC[C@@H]1CCCC12OCCO2	34480835	AGUJYZXXWTXYDJ-VIFPVBQESA-N	200.234	1.093	0	30	BDAC	
C[C@@]1(C(=O)O)Cc2cc(Cl)ccc2C(=O)O1	125320816	VXFZEWMXIYWKSW-NSHDSACASA-N	240.642	1.896	0	30	BDAC	
CN1CCC2(CC1)CN[C@H]1C=CC=C[C@H]12	223618684	ZBDZNVHMVVUJTC-NEPJUHHUSA-N	204.317	1.412	0	30	BDAC	
CC(C)(C)O[C@H]1C[C@H](N)C12CCOCC2	675050671	HFWPJTIRIQFVTJ-UWVGGRQHSA-N	213.321	1.698	0	30	BDAC	
CCOC(=O)CC(=O)[C@H]1CCCCO1	705738354	WAMYDXRIMDDXQD-SECBINFHSA-N	200.234	1.078	0	30	BDAC	
CNC(=O)Nc1nc2cccnc2s1	128821	RIUMIKNLJCBXQW-UHFFFAOYSA-N	208.246	1.443	0	30	BDAC	
CN(CC(=O)C1CC1)C(=O)OC(C)(C)C	405474796	FFTUXJUMVZNDIJ-UHFFFAOYSA-N	213.277	1.832	0	30	BDAC	
NC1=NC(=O)c2c(Cl)ccc(Cl)c21	141008008	GGHNNEWEDPMSRS-UHFFFAOYSA-N	215.039	1.853	0	30	BDAC	
CC(C)OCCn1nc(CN)c2ccccc21	80052034	IUENXCUTAUXVPZ-UHFFFAOYSA-N	233.315	1.920	0	30	BDAC	
O=C1C[C@@](O)(c2ccc(Cl)cc2)CCN1	33610898	FOZDUEGEXJAZGP-LLVKDONJSA-N	225.675	1.438	0	30	BDAC	
CC(C)(C)OC(=O)NCc1ncc(CO)s1	138899859	XSEMBOMSMMUQQV-UHFFFAOYSA-N	244.316	1.660	0	30	BDAC	
Cc1ccc(N2CCC(=O)CC2=O)cc1	86475986	MJVRLAAYIDNZQZ-UHFFFAOYSA-N	203.241	1.691	0	30	BDAC	
CCN(CCO[N+](=O)[O-])c1ccc(N)c(C)c1	604970849	DQRQDKWCKCOKBL-UHFFFAOYSA-N	239.275	1.612	0	30	BDAC	
O=[N+]([O-])/C=C/C(F)(F)Br	199120791	DAQJLYONFXPRAZ-OWOJBTEDSA-N	201.954	1.765	0	30	BDAC	
COC(=O)[C@H]1CCC[C@H](C(=O)O)CC1	757066049	ABJBVSOIDOQQRW-YUMQZZPRSA-N	200.234	1.441	0	30	BDAC	
Oc1ccc([C@@H](O)[C@H](O)c2ccc(O)cc2)cc1	6093270	GRCDZLQANHNACB-ZIAGYGMSSA-N	246.262	1.865	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1C[C@@H]([S@@](C)(=N)=O)C1	2265384887	CVLPYAJJSRUPPS-DELOJEAUSA-N	248.348	1.719	0	30	BDAC	
CC(C)(C)OC(=O)N1CCN[C@@](C)(C2CC2)C1	958719679	YUTLMPCHAWLGFL-CYBMUJFWSA-N	240.347	1.995	0	30	BDAC	
COC(=O)[C@H]1CCc2ccccc2[C@H]1N	39086901	HFWOQHIURTZKRS-WDEREUQCSA-N	205.257	1.422	0	30	BDAC	
CC1(C)O[C@@H]2OCCO[C@H]2OC1(C)C	32231258	DKDKQWHTKRTRMX-YUMQZZPRSA-N	202.250	1.289	0	30	BDAC	
Brc1ccc(-c2nnn[nH]2)cn1	95235071	OGZPQIDDCYRKBF-UHFFFAOYSA-N	226.037	1.024	0	30	BDAC	
CCOC(=O)c1cc(C2CC2)n(CC)n1	601933349	YVYNBZXKIVLRJF-UHFFFAOYSA-N	208.261	1.957	0	30	BDAC	
O=C([C@@H]1CC12CCNCC2)N1CCCCC1	69792148	QGGKMKGTCZKZFK-NSHDSACASA-N	222.332	1.389	0	30	BDAC	in-vitro
CNNC(=S)Nc1ccc(F)c(C)c1	99002	UWITXGPXYNHWJN-UHFFFAOYSA-N	213.281	1.555	0	30	BDAC	
CCOC(=O)[C@@H](N)CCOC(C)(C)C	62542976	DEOFTTGTTLMCOY-QMMMGPOBSA-N	203.282	1.082	0	30	BDAC	
O=C(NC(=O)N1CCCCC1)N1CCCCC1	137976663	FSVCOABDFYCPLW-UHFFFAOYSA-N	239.319	1.788	0	30	BDAC	
O=C(O)CCc1ccnc(Br)c1	83326736	GCSYKFZOLRVAQL-UHFFFAOYSA-N	230.061	1.861	0	30	BDAC	
C[C@H]1NC[C@@H](C)n2c1nnc2C(F)(F)F	40434620	CYPMJSDKSWYWNO-RFZPGFLSSA-N	220.198	1.522	0	30	BDAC	
NC[C@H](O)c1ccc(F)c(Br)c1	20216682	UJBTVWSRZMUEEX-QMMMGPOBSA-N	234.068	1.580	0	30	BDAC	
Cc1ccc([C@@]23CO[C@@H](C2)[C@@H]3C(=O)O)cc1	757542264	JYBQLORUIBXJPL-LOWVWBTDSA-N	218.252	1.736	0	30	BDAC	
CC[C@H]1C[C@]1(O)C[C@H]1COC(C)(C)O1	39100642	GBRWKWGFTBKOFL-QXEWZRGKSA-N	200.278	1.689	0	30	BDAC	
N[C@H]1CCCN(c2cccc(F)c2)C1=O	68593381	CJSDQGAHEZCMEI-JTQLQIEISA-N	208.236	1.280	0	30	BDAC	in-vitro
CC(C)c1nc2c([nH]1)C[C@@H](C(=O)O)CC2	71482020	MJAHJHYFXIFVHK-ZETCQYMHSA-N	208.261	1.723	0	30	BDAC	in-vitro
O=C1CCC(=O)N1CNc1ccc(F)cc1F	139394	MPTWUXCTAMTUOW-UHFFFAOYSA-N	240.209	1.483	0	30	BDAC	
C1CC(c2noc(CC3CCNCC3)n2)C1	86573259	APABIKJGXGIELF-UHFFFAOYSA-N	221.304	1.879	0	30	BDAC	
COc1ccc([C@H]2CNC(=O)C2)c(C)c1	238381511	DYPKFNYSLPUFGM-SECBINFHSA-N	205.257	1.607	0	30	BDAC	
CC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	34181424	AWRBCMYGSHMVHB-GFCCVEGCSA-N	217.268	1.624	0	30	BDAC	
O=C(O)C(=O)c1ccc(F)c(F)c1F	75865787	OHRKDZQCZWHHJE-UHFFFAOYSA-N	204.103	1.371	0	30	BDAC	
CC1=C(Cl)C(=O)O[C@@]1(C)CN(C)C	85686	GVZNWFBCWCSSKC-VIFPVBQESA-N	203.669	1.376	0	30	BDAC	
CC(C)(C)CNCC(=O)OC(C)(C)C	40493460	AKIXKBYAIPJCBW-UHFFFAOYSA-N	201.310	1.964	0	30	BDAC	
O=C(NC1(C(=O)O)CC1)c1ccc(F)cc1	116977696	RBXRAFUEYHLUMZ-UHFFFAOYSA-N	223.203	1.173	0	30	BDAC	
O=C1C[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O1	142410316	DUDGVIIVLLSHGX-QMMMGPOBSA-N	235.195	1.227	0	30	BDAC	
CC(=O)c1ccc2c(c1)[C@H](C)C(=O)N2C	126421	WLCUVGWBRIUSEB-ZETCQYMHSA-N	203.241	1.969	0	30	BDAC	
CCOC(=O)C12CC(C)(C1)OC21CCNCC1	1535642663	WYBQXQVNKLWPRB-UHFFFAOYSA-N	239.315	1.241	0	30	BDAC	
O=C1COCc2cc(Br)cnc21	95763515	MVESTOLIMLUQQZ-UHFFFAOYSA-N	228.045	1.557	0	30	BDAC	
O=C(O)Cc1csc([C@@H]2CCOC2)n1	51691198	UVEOPFQMVYAQDX-ZCFIWIBFSA-N	213.258	1.274	0	30	BDAC	
O=C(N1CC[C@H]2C=C[C@@H](C1)O2)C(F)(F)F	39054687	HYCKVLSIDCSTNL-RQJHMYQMSA-N	221.178	1.105	0	30	BDAC	
OCC1=CCCN(Cc2ccccc2)C1	138679413	WQSRPZIWHIFWKK-UHFFFAOYSA-N	203.285	1.811	0	30	BDAC	
CCOC(=O)CCc1ccc2c(c1)OCO2	1610544	SHFDGDJEJOHKSV-UHFFFAOYSA-N	222.240	1.911	0	30	BDAC	
CNC(=O)c1ccc(Br)cc1O	44490228	JYJYYPNWIDIDDM-UHFFFAOYSA-N	230.061	1.514	0	30	BDAC	
COC(=O)[C@@H]1[C@@H](CN)[C@@H]1c1ccccc1	257901094	VSYSIAIKMCNUTM-GARJFASQSA-N	205.257	1.148	0	30	BDAC	
COC(=O)c1c(C(C)C)nsc1N	675076678	QBPBWAGYEMHXFA-UHFFFAOYSA-N	200.263	1.635	0	30	BDAC	
Cc1ccc2ccccc2[n+]1CCCO	6071535	YJJLEQHWTWPXEN-UHFFFAOYSA-N	202.277	1.818	0	30	BDAC	
CN1Cc2cc(C(=O)O)ccc2NC1=O	34431052	BMCJSNCJNFZGMR-UHFFFAOYSA-N	206.201	1.362	0	30	BDAC	
CCO[C@@H]1CCCC[C@@H]1N1CCOCC1	39099954	AFTFWZMXYMSIDT-NWDGAFQWSA-N	213.321	1.666	0	30	BDAC	
O[C@H]1OCc2ccc(Br)cc21	98179723	XQCYHNPLZHWQKE-QMMMGPOBSA-N	215.046	1.970	0	30	BDAC	
CC(=O)c1sccc1N1C(=O)CCC1=O	82095	DXTBFZKCEIHQNN-UHFFFAOYSA-N	223.253	1.604	0	30	BDAC	
CC(C)(C)OC(=O)NCC[C@]1(C)CCNC1	258152042	HEKZUYBSSLTJNY-LBPRGKRZSA-N	228.336	1.901	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CO)C1	709632616	RSDWOXMRWDMCGG-JOYOIKCWSA-N	227.304	1.626	0	30	BDAC	
COC(=O)c1ccc2sc(CO)nc2c1	45235917	MKSXQKCCRMKXAU-UHFFFAOYSA-N	223.253	1.575	0	30	BDAC	
CCOC(=O)c1c(C)c(C)c(C)[nH]c1=O	34165133	HCSVCVWIVVFBBO-UHFFFAOYSA-N	209.245	1.477	0	30	BDAC	
CC(=O)N[C@@H](C(C)=O)c1ccccc1F	139285233	AWFWQFVIIBYOKY-NSHDSACASA-N	209.220	1.592	0	30	BDAC	in-vitro
NCCOc1ccc(Br)cn1	51870231	NVZKOKAVBWRZPJ-UHFFFAOYSA-N	217.066	1.182	0	30	BDAC	in-vitro
C[C@H](CC(=O)OC(C)(C)C)[C@H](CN)C(=O)O	238791490	GRSCYBCTSXLYMO-SFYZADRCSA-N	231.292	1.014	0	30	BDAC	
NC[C@H](C[C@@H](O)c1ccc(Cl)cc1)C(=O)O	6093187	TWCFJIPRJZKMBG-WCBMZHEXSA-N	243.690	1.423	0	30	BDAC	
C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1N	66354498	PIKUMWWWMLIKJN-YPMHNXCESA-N	248.326	1.992	0	30	BDAC	
CO[C@]1(C(F)(F)F)CCCN(C(N)=O)C1	681946294	XXXLQUOHKWRYKS-SSDOTTSWSA-N	226.198	1.108	0	30	BDAC	
O=C(O)[C@@H](C1CC1)n1cc(Br)cn1	84092543	VQEWFJNWIQVOMZ-SSDOTTSWSA-N	245.076	1.681	0	30	BDAC	
Cc1cccc(C)c1-n1nnnc1[C@@H](C)N	231704498	SAICGPOCXARMOV-SECBINFHSA-N	217.276	1.299	0	30	BDAC	
O=C1Nc2ccc(Cl)cc2N[C@@]12CCOC2	98210214	PVXFMSZRBBDWKH-LLVKDONJSA-N	238.674	1.863	0	30	BDAC	
COc1ccc(F)c(Br)n1	98095327	RSIDBBAZCOTLAM-UHFFFAOYSA-N	206.014	1.992	0	30	BDAC	in-vitro
O[C@H](CF)c1ncc(Br)cn1	1536210181	DHBCDJYSGOUIPN-RXMQYKEDSA-N	221.029	1.242	0	30	BDAC	
Cn1[nH]c(=O)c2cnc3c(F)cc(F)cc3c21	166587	ARGCSXHKQVOKIK-UHFFFAOYSA-N	235.193	1.693	0	30	BDAC	
Brc1cnn([C@@H]2CCCOC2)c1	72193393	QUPIIQFKOXWGME-MRVPVSSYSA-N	231.093	1.997	0	30	BDAC	
[O-][n+]1ccc(NO)c2ccc(Cl)cc21	95882239	BFMAMDNZERVDOI-UHFFFAOYSA-N	210.620	1.928	0	30	BDAC	
COC(CSCC(F)(F)F)OC	33607890	AMQYICAOQAOBSI-UHFFFAOYSA-N	204.213	1.901	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](CN)C1	137389871	JYUWBWRGSMBQIS-DTWKUNHWSA-N	212.293	1.415	0	30	BDAC	
COc1cnc(-c2ncccn2)nc1Cl	116191105	ZYLORRIXIUCBMJ-UHFFFAOYSA-N	222.635	1.596	0	30	BDAC	
NCCCCCC(O)CCCCCN	5178506	JSVZYRZGURPUGR-UHFFFAOYSA-N	202.342	1.386	0	30	BDAC	
CNC(=O)Nc1ccc2nc(C)oc2c1	172214	RYDBLBQQKQBVJV-UHFFFAOYSA-N	205.217	1.888	0	30	BDAC	
O=C1N[C@@H]2C[C@H]2N1C(=O)OCc1ccccc1	100244011	MTQBCNWSXOYUJM-NXEZZACHSA-N	232.239	1.489	0	30	BDAC	
CCOC1=NO[C@@](O)(C(Cl)(Cl)Cl)C1	38845751	VQUGUNHKTRLROF-RXMQYKEDSA-N	248.493	1.816	0	30	BDAC	
O=C(O)Cc1ccc(-c2nnco2)cc1	238624369	VEHNRKKIHDISPE-UHFFFAOYSA-N	204.185	1.364	0	30	BDAC	
CC(C)(O)CN1CCc2c(N)cccc2C1	38032927	NORGSCFXDSAMOJ-UHFFFAOYSA-N	220.316	1.398	0	30	BDAC	in-vitro
C=CC(=O)Nc1ccc(C)cc1C(=O)O	19437370	XMYDZMDCSXTYQU-UHFFFAOYSA-N	205.213	1.818	0	30	BDAC	
Nc1nc(Cl)cc(N[C@@H]2C=C[C@@H](CO)C2)n1	34306878	DKWGUXGAGXYRNE-RNFRBKRXSA-N	240.694	1.061	0	30	BDAC	in-vitro
C[C@H]1NCC[C@H]1NC(=O)OC(C)(C)C	84237381	FIZGQOZZMQMOQI-HTQZYQBOSA-N	200.282	1.262	0	30	BDAC	in-vitro
CC(C)[C@H](C[C@@H](N)C(=O)O)C(=O)OC(C)(C)C	90760677	ASMHKAHTRGLGKZ-DTWKUNHWSA-N	245.319	1.402	0	30	BDAC	
O=C(O)Cn1ccn2c(=S)cccc12	39124758	ACVXDSMBWKICDY-UHFFFAOYSA-N	208.242	1.555	0	30	BDAC	
CC1(c2ncc(Br)c(=O)[nH]2)CC1	87548800	UBHXJODDUFFZDL-UHFFFAOYSA-N	229.077	1.584	0	30	BDAC	
CC[C@@H](CC(=O)O)C(=O)OC(C)(C)C	238257651	JXRDZQISULRRIS-ZETCQYMHSA-N	202.250	1.829	0	30	BDAC	
Cc1nc(CN2C[C@@H](F)C[C@H]2CN)cs1	238856200	VIPXLPYFNQHHKS-WPRPVWTQSA-N	229.324	1.323	0	30	BDAC	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@H]1C(=O)O	258178449	ITPSRQWNZXVSNJ-BIIVOSGPSA-N	229.276	1.620	0	30	BDAC	
CC(C)[C@H](C)NCCCN1CCOCC1	20141704	SMVQNEQWQWNSBH-LBPRGKRZSA-N	214.353	1.343	0	30	BDAC	
COc1cc2ccn(C)c(=O)c2cc1OC	34510812	HCHLTWGUUUDWFP-UHFFFAOYSA-N	219.240	1.556	0	30	BDAC	
CC1(C)C[C@@H](N)CN1Cc1ccccc1	115447318	RCVCYZIOOMXPOP-GFCCVEGCSA-N	204.317	1.998	0	30	BDAC	
COC(=O)c1cc(Br)n2c1CCC2	211834480	MMEPPLDRNLHJHK-UHFFFAOYSA-N	244.088	1.983	0	30	BDAC	
O=C1NCCC[C@@H]1Cc1ccc(Cl)nc1	133757964	ATMGKXWMMYHZCK-SECBINFHSA-N	224.691	1.804	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H](N)CC1(C)C	259115161	KYSBFBMMBVRQTB-QMMMGPOBSA-N	214.309	1.733	0	30	BDAC	
Nc1ncc(Br)c(OC2CC2)n1	713297211	UQWKCJCRIVFYCH-UHFFFAOYSA-N	230.065	1.363	0	30	BDAC	
CC(C)(C)OC(=O)N[C@]1(CO)CC12CC2	2265385256	XDOUBDNRRCDYQZ-NSHDSACASA-N	213.277	1.426	0	30	BDAC	
Nc1nc(Cl)cc(N[C@H]2C=C[C@@H](CO)C2)n1	34306877	DKWGUXGAGXYRNE-RQJHMYQMSA-N	240.694	1.061	0	30	BDAC	in-vitro
CN(C)S(=O)(=O)c1cccc2cnccc12	36662092	MRHJXMWWAQWJDD-UHFFFAOYSA-N	236.296	1.485	0	30	BDAC	
COC(=O)c1c(Cl)nn(C)c1S	34415421	XTUMGOVDIPZWQA-UHFFFAOYSA-N	206.654	1.149	0	30	BDAC	
O=C(c1cccc(C(F)(F)F)c1)C(O)O	2548086	VLGYXNRPAZQQDZ-UHFFFAOYSA-N	220.146	1.199	0	30	BDAC	
COC(=O)CCCCCC(OC)OC	115987077	PRFTUWPGVGWACW-UHFFFAOYSA-N	204.266	1.729	0	30	BDAC	
COC(=O)C[C@H](C(=O)O)c1ccccc1	337962	PVVCFPXSLBVQBN-VIFPVBQESA-N	208.213	1.418	0	30	BDAC	
COc1ccc(=O)n(Cc2ccc(F)cc2)n1	188880294	MOGDLPDQSZMOCT-UHFFFAOYSA-N	234.230	1.439	0	30	BDAC	
CCN1CCC[C@H](CNC)[C@@H]1c1cnn(C)c1	70278891	DFUPEVKUTOENMN-DGCLKSJQSA-N	236.363	1.413	0	30	BDAC	
OC[C@]1(Cc2ccc(F)cc2)CCNC1	85042196	RBMGBWISOFISNU-LBPRGKRZSA-N	209.264	1.340	0	30	BDAC	in-vitro
O=C1C[C@H](C2CCC(F)(F)CC2)CN1	145399769	RRPRNAXMTWGSSU-QMMMGPOBSA-N	203.232	1.948	0	30	BDAC	
CCOP(=O)(OCC)[C@H](F)C(=O)O	96395036	XVVDJXADJFNWAZ-YFKPBYRVSA-N	214.129	1.633	0	30	BDAC	
CC(C)(C)OC(=O)C1(N)Cc2ccccc2C1	253179045	AQDSVNUFZKVZJZ-UHFFFAOYSA-N	233.311	1.824	0	30	BDAC	
CCOC(=O)C[C@@H]1CCOC[C@H]1OCC	259619356	HTXQFDSQCCUSSI-VHSXEESVSA-N	216.277	1.381	0	30	BDAC	
C[C@@]1(C2CC2)NC(=O)N(c2cccc(N)c2)C1=O	84097514	KVNNUONFHDPHKI-ZDUSSCGKSA-N	245.282	1.494	0	30	BDAC	in-vitro
CCOC(=O)CC(=O)[C@@H]1CCCCO1	705738355	WAMYDXRIMDDXQD-VIFPVBQESA-N	200.234	1.078	0	30	BDAC	
O=c1ccc2ccc(OCCCCO)cc2[nH]1	205481535	QGAXLPZEOROXNY-UHFFFAOYSA-N	233.267	1.679	0	30	BDAC	
CC(C)(C)N(C(=O)O)[C@@H]1[C@H]2C[C@H](O)C[C@H]21	514277632	LVQXTLSQOMVETJ-FOVOQCRYSA-N	213.277	1.534	0	30	BDAC	
COC[C@@]1(C(=O)OC(C)(C)C)CCCNC1	725242637	PJBMOVBTDXMMOH-GFCCVEGCSA-N	229.320	1.344	0	30	BDAC	
CC(C)(C)OC(=O)C12CC(C(=N)NO)(C1)C2	707877072	SCSGEZRXPDGOCX-UHFFFAOYSA-N	226.276	1.454	0	30	BDAC	
CCOC1=CC(=O)[C@H](CC(=O)OC)CC1	39099930	WBQFTEAXYUBQAH-QMMMGPOBSA-N	212.245	1.449	0	30	BDAC	
COc1ccc([C@H](C)[C@H](N)C(=O)O)cc1	107446875	HYOLSKLZTOUWNN-XVKPBYJWSA-N	209.245	1.211	0	30	BDAC	
CCCCCC(=S)N(CCO)CCO	39124761	SPGKGWLEFYBENB-UHFFFAOYSA-N	219.350	1.181	0	30	BDAC	
COC(=O)[C@@H](N)Cc1c[nH]c2cccc(F)c12	44909641	ZIYNPXVEKXATPA-VIFPVBQESA-N	236.246	1.350	0	30	BDAC	
Nc1ccc(N2CCNCC2)cc1C(F)(F)F	50607352	OQVULRZEAPVBJD-UHFFFAOYSA-N	245.248	1.697	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2C=C(CO)C[C@H]2C1	146396975	ADHDVDLJRWCKEL-MNOVXSKESA-N	239.315	1.792	0	30	BDAC	
Cc1cc(C(F)(F)F)ncc1[S@](=O)O	1535370260	JFGDTYUTNBHQTB-UHFFFAOYSA-N	225.191	1.989	0	30	BDAC	
O=C(O)C[C@H]1CCC[C@H](C(F)(F)F)O1	675050666	GXBYZAXJUHSWEW-PHDIDXHHSA-N	212.167	1.961	0	30	BDAC	
CC(C)(C)OC(=O)N1CCNC2(CC1)CC2	97758737	VUYDVTFVLINJQX-UHFFFAOYSA-N	226.320	1.749	0	30	BDAC	
Cc1cnc2ccc3c(nc(NO)n3C)c2n1	13282288	FVNCCTJGBOTWTM-UHFFFAOYSA-N	229.243	1.626	0	30	BDAC	in-vitro
COc1ccc(-c2nc3c(o2)CCNC3)cc1	95642242	FUBGLZXAUMETKO-UHFFFAOYSA-N	230.267	1.996	0	30	BDAC	
O=S(=O)(O)[C@H](O)c1ccccc1Cl	6095430	FTSIBBNHWZVNTJ-ZETCQYMHSA-N	222.649	1.219	0	30	BDAC	
COC[C@H](N)Cc1ccc(F)cc1F	50886208	BAKPKQVHOYVXNI-SECBINFHSA-N	201.216	1.481	0	30	BDAC	
Cc1cc2c(c(=O)[nH]1)NC(=O)OC2(C)C	34577779	LDROTLZSFYGLSS-UHFFFAOYSA-N	208.217	1.481	0	30	BDAC	
COc1ccc(COC[C@H](C)CO)cc1	38812549	VXWJQPCCVVLLAN-SNVBAGLBSA-N	210.273	1.840	0	30	BDAC	
C[C@@H]1COC(=O)[C@@H]2CCCC[C@H]2C(=O)O1	255992985	ORXDTHSDUGATMQ-IWSPIJDZSA-N	212.245	1.281	0	30	BDAC	
O=C(O)[C@H]1CCCCCC[C@H]1C(=O)O	393371	KZWFYIXNPRJUQF-OCAPTIKFSA-N	200.234	1.742	0	30	BDAC	
CC(C)(C)OC(=O)N[C@]12CC=C[C@H]1CNC2	2265362204	GVEGRODCNNIJKL-CABZTGNLSA-N	224.304	1.429	0	30	BDAC	
COC(=O)[C@@]1(c2cccc(Cl)c2)CCNC1	260536243	LRWPIPRIYXEVCG-LBPRGKRZSA-N	239.702	1.744	0	30	BDAC	
O=P(O)(O)Nc1ccc(Cl)cc1	1995115	KMMZQXVFKBCFRP-UHFFFAOYSA-N	207.553	1.845	0	30	BDAC	
CCOc1nc(Cl)c(C(=O)OC)s1	37473369	CNWGUEKRZDJZNA-UHFFFAOYSA-N	221.665	1.982	0	30	BDAC	
N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21	20437193	HYHVAEXXWQPWPF-MRVPVSSYSA-N	215.249	1.003	0	30	BDAC	
CCOC(=O)c1cnc(C)cc1OCC	39099679	XWGXVPBKJNOPGR-UHFFFAOYSA-N	209.245	1.965	0	30	BDAC	
CC(C)(C)OC(=O)n1cnc(CCCO)c1	59509363	NPHCJGXGOTYRFT-UHFFFAOYSA-N	226.276	1.591	0	30	BDAC	
COc1cc(N)ccc1[S@](C)(=N)=O	149521973	IADLVZKFGFVDJK-CYBMUJFWSA-N	200.263	1.313	0	30	BDAC	
Fc1ccccc1-n1cc(C2CCNCC2)nn1	404613151	HZAGJQVARIREGS-UHFFFAOYSA-N	246.289	1.873	0	30	BDAC	
Nc1ccc(N)c2c1[C@@H](O)c1ccccc1[C@@H]2O	33611431	BRWUPFWYFPEOMA-KBPBESRZSA-N	242.278	1.328	0	30	BDAC	
O=c1[nH]nc(S)n1-c1cccc(Cl)c1	115382	CFANXGSAYYGHNO-UHFFFAOYSA-N	227.676	1.503	0	30	BDAC	
CCOc1c(C(=O)O)oc2ncccc12	39099542	LJEPXMFDWNOKHO-UHFFFAOYSA-N	207.185	1.925	0	30	BDAC	
Nc1cc(-c2ccccc2)n(CC(=O)O)n1	39256110	OGZKPGZSMQKKCO-UHFFFAOYSA-N	217.228	1.217	0	30	BDAC	
CC(=O)Nc1ccc2ccc(=O)n(C)c2c1	39109744	KXNJRJBFJXJPAZ-UHFFFAOYSA-N	216.240	1.497	0	30	BDAC	
CC(C)n1nnnc1-c1ccccc1N	42014201	TYTWZOPPTCNFRW-UHFFFAOYSA-N	203.249	1.503	0	30	BDAC	in-vitro
CCOC(=O)c1sc2nc(C)nn2c1C	83255182	JCZFDOHQAMOMHZ-UHFFFAOYSA-N	225.273	1.584	0	30	BDAC	in-vitro
CC(=O)O[C@H]1C(=O)Nc2c(Cl)cccc21	101164821	JKHCHPATJJTKAU-SECBINFHSA-N	225.631	1.896	0	30	BDAC	
Nc1ccn(-c2cc(F)c(F)cc2F)n1	70041767	LXEZZUZVJWFRCS-UHFFFAOYSA-N	213.162	1.872	0	30	BDAC	in-vitro
OC1(Cc2ccc(Br)cn2)COC1	693564509	IJZFBSAWVFGHSX-UHFFFAOYSA-N	244.088	1.148	0	30	BDAC	
Cn1nc2n(c1=O)-c1ccccc1SC2	160593	WUJNAIDDRVPOHD-UHFFFAOYSA-N	219.269	1.177	0	30	BDAC	
NC[C@@H](C[C@@H](O)c1ccc(Cl)cc1)C(=O)O	6093188	TWCFJIPRJZKMBG-PSASIEDQSA-N	243.690	1.423	0	30	BDAC	
CC(C)(C)SCCNC(=O)[C@H]1C[C@@H]1C(=O)O	6615413	NDKBLRFRBGWKTG-YUMQZZPRSA-N	245.344	1.355	0	30	BDAC	
COC(=O)c1cnc2ccc(N)cc2c1O	309171590	PNAQCKXGUYWSFV-UHFFFAOYSA-N	218.212	1.309	0	30	BDAC	
CN1CCN2C(=O)c3ccccc3[C@]2(C)C1	39109825	WDCKKTKVRNCUCC-ZDUSSCGKSA-N	216.284	1.303	0	30	BDAC	
CCOC(=O)c1cnc2cccc3ncnc1-n-3-2	32209587	OEHCVTSREKLEOH-UHFFFAOYSA-N	242.238	1.382	0	30	BDAC	
C[C@@H](N)[C@H](O)c1cc(F)cc(Cl)c1	95791152	GAFTVDZYKAATRP-ANLVUFKYSA-N	203.644	1.860	0	30	BDAC	
CS(=O)(=O)c1ccc(NC2CC2)cc1	35097952	PTUMZISNUKSWNH-UHFFFAOYSA-N	211.286	1.664	0	30	BDAC	in-vitro
CC(C)NCC1CN(C(=O)OC(C)(C)C)C1	91353047	PEULLCXPXNUTIY-UHFFFAOYSA-N	228.336	1.851	0	30	BDAC	
COc1ccc2c(c1)NC(=O)C[C@@H](C)N2	107147514	NQKGUWQPPUJOMT-SSDOTTSWSA-N	206.245	1.838	0	30	BDAC	
C[C@H]1C[C@H](CN)CN1C(=O)OC(C)(C)C	107249001	OMYUWTDLNUMEGX-DTWKUNHWSA-N	214.309	1.591	0	30	BDAC	
O=[S@](CCO)c1cc(F)cc(Cl)c1	1772717726	DKFQBIXSOKHXJO-CYBMUJFWSA-N	222.668	1.579	0	30	BDAC	
CCOC(=O)c1cc2c(nc1N)CCC2	39086952	CIYMIKKUVCWXKU-UHFFFAOYSA-N	206.245	1.329	0	30	BDAC	
CCOC(=O)C[C@@H](N)CCc1ccccc1	34628704	XOTDONLNWOOEMI-LBPRGKRZSA-N	221.300	1.900	0	30	BDAC	
O=C1CCCC[C@H](C(=O)OCc2ccccc2)N1	98095385	BGMLBAAZDMGRCO-GFCCVEGCSA-N	247.294	1.789	0	30	BDAC	
C[C@H](N)[C@@H](O)c1cc(F)cc(Cl)c1	95801600	GAFTVDZYKAATRP-SSDLBLMSSA-N	203.644	1.860	0	30	BDAC	
CC(C)OC(=O)[C@@H](C)C(=O)c1cnccn1	98089952	ZUJXPOANNBUCDQ-QMMMGPOBSA-N	222.244	1.247	0	30	BDAC	
COC(=O)/C=C(/C)NC(=O)NC(C)(C)C	5132125	UXOROTUGAADVMK-SREVYHEPSA-N	214.265	1.161	0	30	BDAC	
CCOC(=O)[C@@H](N)[C@H](C)c1ccccc1	38416938	JJJCCMPPURKHIM-KOLCDFICSA-N	207.273	1.681	0	30	BDAC	
Nc1cc(Br)ccc1CC(=O)O	95641947	FJLGJOJCDAVQDF-UHFFFAOYSA-N	230.061	1.658	0	30	BDAC	
CCOC(=O)C1(CC(C)C)CCNCC1	113697288	YRPFSXQZRTYELP-UHFFFAOYSA-N	213.321	1.965	0	30	BDAC	
CC1(C)C[C@H](CN)c2ccc(O)cc2O1	214822553	YTSUVZXZRWTSAF-MRVPVSSYSA-N	207.273	1.996	0	30	BDAC	
CCOC(=O)c1c(C)cc(O)c(CO)c1O	2265356036	QBHGTVOUACMOCU-UHFFFAOYSA-N	226.228	1.075	0	30	BDAC	
Oc1ccc2c(c1O)CCC[C@]21CCNC1	39098113	FIPHBPNXJLXPCQ-CYBMUJFWSA-N	219.284	1.665	0	30	BDAC	
CCO[C@H]1CCCC[C@H]1N1CCOCC1	39099957	AFTFWZMXYMSIDT-NEPJUHHUSA-N	213.321	1.666	0	30	BDAC	
O=C(O)Cn1nccc1-c1ccccc1	70824936	PFAVXJYYBMOUQQ-UHFFFAOYSA-N	202.213	1.635	0	30	BDAC	
COC(=O)[C@@H](N)C(C)(C)c1ccc(F)cc1	212742740	OXOOLCDUSKQPIS-SNVBAGLBSA-N	225.263	1.604	0	30	BDAC	
Clc1cnc2nc(Br)nn2c1	220621143	YLEAHNOSEKPIHN-UHFFFAOYSA-N	233.456	1.540	0	30	BDAC	
COC(=O)c1nccnc1C(F)(F)F	95932914	AHAAJWNPVHTSHD-UHFFFAOYSA-N	206.123	1.282	0	30	BDAC	
Brc1csc(-n2cncn2)n1	86291451	ZOXHVYGHAYEQLN-UHFFFAOYSA-N	231.078	1.486	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CN	258031215	IQRRHMJDTILEKX-SFYZADRCSA-N	200.282	1.106	0	30	BDAC	
NC(=O)c1cccc2[nH]c3ccccc3c(=O)c12	146744496	QJTYCHRNYDKMSD-UHFFFAOYSA-N	238.246	1.780	0	30	BDAC	
CCCCNC(=O)NC(=O)c1ccco1	33875607	ODDMOEUFWQJITO-UHFFFAOYSA-N	210.233	1.519	0	30	BDAC	
CCOC(=O)[C@@H]1CCCN[C@@H]1c1ccc(O)cc1	260652359	VNCMIWMPEQXTEM-CHWSQXEVSA-N	249.310	1.996	0	30	BDAC	
CCCCc1c(COC)nc(SC)[nH]c1=O	8648116	RLIUUZNROPOSOV-UHFFFAOYSA-N	242.344	1.981	0	30	BDAC	
CSc1nc(-c2ccccc2)[nH]c(=O)n1	13465929	LNZNGZRZPAVAIL-UHFFFAOYSA-N	219.269	1.554	0	30	BDAC	
NC(=O)C(F)(F)c1ccc(Cl)nc1	725264994	LTOAXHPJUVFYRF-UHFFFAOYSA-N	206.579	1.312	0	30	BDAC	
COC(=O)C1(N)CC(C)(C)OC(C)(C)C1	958719678	YDPCASAYWOHPDF-UHFFFAOYSA-N	215.293	1.225	0	30	BDAC	
COc1cccc(OCCNCCN(C)C)c1	41280558	UERUBWUIDMYIHC-UHFFFAOYSA-N	238.331	1.225	0	30	BDAC	
N[C@@H](Cc1ccccc1)[C@@H](N)C(F)(F)F	47845224	QVVAVUSJVMSJQJ-DTWKUNHWSA-N	218.222	1.446	0	30	BDAC	in-vitro
Nc1nc(Cc2ccc(F)cc2F)no1	74700	SJRXXPCGYRYSFY-UHFFFAOYSA-N	211.171	1.521	0	30	BDAC	
O=C1NCCCC[C@@H]1NCc1ccccc1	55617411	JRGFAORRKSDLLX-LBPRGKRZSA-N	218.300	1.445	0	30	BDAC	
CCOC(=O)[C@@](N)(CC)c1ccccc1	37459898	JLEZVTIYNCKTNH-GFCCVEGCSA-N	207.273	1.814	0	30	BDAC	in-vitro
NC1(CN2CCN(c3ccc(F)cc3)CC2)CC1	88131095	BVOKCFLLEFOMAC-UHFFFAOYSA-N	249.333	1.439	0	30	BDAC	
CCO[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O	143508714	ZQGFRRMJROYVKB-SNVBAGLBSA-N	243.303	1.601	0	30	BDAC	
O=c1[nH]c2ccccc2n1-c1cncnc1	148577188	WUYKOXLQPFNHTE-UHFFFAOYSA-N	212.212	1.109	0	30	BDAC	
Nc1nc2ccc(C(F)(F)F)cc2c(=O)o1	231432430	GWGOWYDVFKLYCG-UHFFFAOYSA-N	230.145	1.789	0	30	BDAC	
Cc1cc(CO[C@H]2CC[C@H](N)CC2)on1	299892465	XQRRNGNVYHMQRA-MGCOHNPYSA-N	210.277	1.770	0	30	BDAC	
C[C@H]1CN(Cc2ccccc2)C[C@]2(CCNC2)O1	669371690	QEFGLKSVHNKOKI-DZGCQCFKSA-N	246.354	1.639	0	30	BDAC	
Cn1ccnc1[C@@]1(C(F)(F)F)CCO1	1536221435	HUIPMMNIHDZYOW-SSDOTTSWSA-N	206.167	1.598	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@@H]1CCCO1	228399708	KUUAEAFMDBFLMY-JGVFFNPUSA-N	245.275	1.143	0	30	BDAC	
COc1ccc2[nH]c(CC(=O)O)cc2c1	20269264	ITSUZTOXIGCANA-UHFFFAOYSA-N	205.213	1.804	0	30	BDAC	
CCOC(=O)CC[C@@H]1CCO[C@H]1OC	39100765	UBULFWAJFUOVTD-PSASIEDQSA-N	202.250	1.339	0	30	BDAC	
FC(F)(F)c1cccnc1-n1cncn1	122097	PLFZEWDJTIORRD-UHFFFAOYSA-N	214.150	1.681	0	30	BDAC	
Cc1cc(O[C@@H]2CCOC2=O)ccc1N	19817984	QPFDZOSOMYDKGN-SNVBAGLBSA-N	207.229	1.272	0	30	BDAC	in-vitro
O=C(O)CCC(=O)OOC(=O)c1ccccc1	100056495	QUZPSMZNTIBYAS-UHFFFAOYSA-N	238.195	1.166	0	30	BDAC	
N[C@](C(=O)O)(c1cccc(F)c1)C(F)(F)F	69548548	NUXDDYNJOVNZHY-QMMMGPOBSA-N	237.152	1.627	0	30	BDAC	in-vitro
COC(=O)c1cc(C)cc2sc(N)nc12	45236957	RTZHEQRECNAMDJ-UHFFFAOYSA-N	222.269	1.974	0	30	BDAC	
CCS(=O)(=O)c1ccc(Cl)cc1N	19470558	LSXGJBQAKLPYKD-UHFFFAOYSA-N	219.693	1.716	0	30	BDAC	in-vitro
COc1ccc(S(N)(=O)=O)c(C(F)F)c1	958678284	MYBKJTQNWMAYRK-UHFFFAOYSA-N	237.227	1.280	0	30	BDAC	
O=C(O)c1nscc1Br	83287534	AZXGRLSGOYZQAR-UHFFFAOYSA-N	208.036	1.604	0	30	BDAC	in-vitro
O=C(O)CCCCc1cc(O)cc(O)c1	34223665	QHXNJIMVPAFCPR-UHFFFAOYSA-N	210.229	1.895	0	30	BDAC	
COC(=O)c1ccc(N2C[C@@H](C)N[C@H](C)C2)cc1	84574132	UMLDOXCNVOGXDS-GHMZBOCLSA-N	248.326	1.660	0	30	BDAC	
CC(=O)S[C@H](Cc1ccccc1)C(=O)O	26598	UOVSNFYJYANSNI-SNVBAGLBSA-N	224.281	1.962	0	30	BDAC	in-vitro
Cn1cc(C(=O)O)cc1Br	83314170	AKKMKWRLBFUUMQ-UHFFFAOYSA-N	204.023	1.486	0	30	BDAC	
CCC[C@H]1OC(=O)[C@@H](CCC)OC1=O	96328539	KIFNCRCPGMECJU-HTQZYQBOSA-N	200.234	1.424	0	30	BDAC	
CCn1nccc1[C@@H]1OCCC[C@H]1CN	399694634	VYEOVTOVVBEVJI-GXSJLCMTSA-N	209.293	1.329	0	30	BDAC	
CC(=O)[C@H]1C(=O)c2ccccc2N(C(C)C)C1=O	957698412	BLLXZEYKEUBXSV-LBPRGKRZSA-N	245.278	1.830	0	30	BDAC	
Clc1ccc(OCC2=NCCN2)cc1	20399583	SQKZVJVZTQWRQU-UHFFFAOYSA-N	210.664	1.721	0	30	BDAC	
COC(=O)c1ccc2[nH]c(CO)cc2c1	137722810	KVWQGEONUTXDDI-UHFFFAOYSA-N	205.213	1.447	0	30	BDAC	
CC1=NNC(=O)[C@H]1Cc1ccc(F)cc1	100397376	CMQRGDDLJYEVDF-JTQLQIEISA-N	206.220	1.490	0	30	BDAC	
CC(C)(C)OC(=O)COc1ccc(CN)cc1	95935026	HFFULTGUWFFTKU-UHFFFAOYSA-N	237.299	1.866	0	30	BDAC	
Cc1cccnc1NC(=O)c1cccc(C)[n+]1[O-]	196302725	BZPBLVGAOOXIDG-UHFFFAOYSA-N	243.266	1.584	0	30	BDAC	
O=C(O)CCCCCCC[C@@H](O)C(=O)OO	223700479	BJXKRPXJCOZCRQ-MRVPVSSYSA-N	234.248	1.179	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=N)=O)C1	584646088	JYOPAUPKXFQZPE-ZKANADHPSA-N	248.348	1.672	0	30	BDAC	
Cc1nn(-c2ccccc2)c(=O)c2noc(C)c12	122707	YNMXHASRQBEXMM-UHFFFAOYSA-N	241.250	1.991	0	30	BDAC	
CC(=S)N(C)CCCN(C)C(C)=S	39124833	KIWRMYQNPWGMQB-UHFFFAOYSA-N	218.391	1.935	0	30	BDAC	
CC[C@H]1C[C@@]1(O)C[C@H]1COC(C)(C)O1	39100644	GBRWKWGFTBKOFL-ATZCPNFKSA-N	200.278	1.689	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(=O)CC2(CC2)C1	686918568	NJOCEAANVCIAFD-UHFFFAOYSA-N	225.288	1.977	0	30	BDAC	
CN[C@H]1Cc2ccc(OC)c(OC)c2C1	29225603	YFQNHQPLESHICO-VIFPVBQESA-N	207.273	1.390	0	30	BDAC	
CCOC(=O)Cc1ncc(C(F)(F)F)cn1	95642159	NRDUYVFZKKRJSA-UHFFFAOYSA-N	234.177	1.601	0	30	BDAC	
O=C(O)C(=O)Cc1sccc1Br	201072553	JZUJOIBEDHRROV-UHFFFAOYSA-N	249.085	1.707	0	30	BDAC	
COCOc1cc([S@](=O)O)ccc1OC	2265385096	YPEBWOCYRGWGDM-UHFFFAOYSA-N	232.257	1.259	0	30	BDAC	
Cn1cc(Nc2ccc(C(=O)O)cc2)cn1	50913113	CMHUFMNLZPLPGF-UHFFFAOYSA-N	217.228	1.862	0	30	BDAC	
CCOC(=O)c1cnc(O)cc1C(F)(F)F	318765413	FLXUVXBYGCYAFJ-UHFFFAOYSA-N	235.161	1.983	0	30	BDAC	
CCOC(=O)[C@@H](CC(=O)C1CC1)C(=O)C1CC1	536948686	GAPWDXROWIXFRP-JTQLQIEISA-N	238.283	1.514	0	30	BDAC	
COc1ccc(OCCN)cc1Br	82610560	QBSLETCYSUHIEB-UHFFFAOYSA-N	246.104	1.795	0	30	BDAC	
NC1(c2cccc(Br)n2)COC1	95768126	WUZTUDSCYISGAM-UHFFFAOYSA-N	229.077	1.028	0	30	BDAC	
Cc1cc(S(C)(=O)=O)nc2ccccc12	21996799	DKPGAIZSONUHTC-UHFFFAOYSA-N	221.281	1.947	0	30	BDAC	
C[C@@H]1C[C@@H](C(=O)O)[C@H](C(=O)O)C[C@H]1C	8536310	NSVFQYRNBOFQMT-WCTZXXKLSA-N	200.234	1.454	0	30	BDAC	
Nc1cc(C(=O)OCc2ccccc2)[nH]n1	70821037	SWPITEIAFJUXAP-UHFFFAOYSA-N	217.228	1.349	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1CCNC1(C)C	216550010	IAQFXXMVIILVAI-VIFPVBQESA-N	228.336	1.899	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC12CC(N)C2	220178004	ISRMYJPUDZEWEQ-JKDSDDBFSA-N	212.293	1.391	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]1C1CNC1	723456648	NXCVTKGYLGKDEV-VIFPVBQESA-N	212.293	1.215	0	30	BDAC	
CC(=O)Nc1ccc(CP(=O)(O)O)cc1	31425038	DNUQPWAYLJSQOG-UHFFFAOYSA-N	229.172	1.323	0	30	BDAC	
COC(=O)/C=C(\C)N[C@H](C(=O)O)c1ccccc1	103285882	FMONNRDZPPUEOZ-BCPZQOPPSA-N	249.266	1.479	0	30	BDAC	
CC(=O)Cc1cncc(Br)c1	39326123	YLNLWCJYVBTPBF-UHFFFAOYSA-N	214.062	1.976	0	30	BDAC	
O=C(O)[C@H](O)C1CCC(C(F)(F)F)CC1	85446553	NUNXJBDJLLMIGP-KPGICGJXSA-N	226.194	1.801	0	30	BDAC	in-vitro
Cc1cn2c(N)nc(-c3ccccc3)nc2n1	13491993	OFMKYUJLYPYZDV-UHFFFAOYSA-N	225.255	1.682	0	30	BDAC	
Cc1nnnn1/C(=C/c1ccccc1)C(=O)O	6046047	PTBNDKSHTBGKBT-JXMROGBWSA-N	230.227	1.064	0	30	BDAC	
Cc1ccccc1[C@]1(C)OC[C@@H](CO)O1	2037890	RRJZBWCMQLDFRF-ZYHUDNBSSA-N	208.257	1.575	0	30	BDAC	
COc1nc(C)ncc1Br	205729034	SIOFQZXCJBCBSR-UHFFFAOYSA-N	203.039	1.556	0	30	BDAC	
NCc1cccc(COC[C@@H]2CCCO2)c1	19390882	JKFKOJLQIJOSHD-ZDUSSCGKSA-N	221.300	1.841	0	30	BDAC	
COC(=O)c1cccc(OC[C@H](C)N)c1	259586327	PDPBOYVYRHXPGE-QMMMGPOBSA-N	209.245	1.199	0	30	BDAC	
Cc1cc(F)c(Br)cc1C(N)=O	575689171	RQAPRGRPPWATQH-UHFFFAOYSA-N	232.052	1.996	0	30	BDAC	
O[C@H]1C=Cc2ccc3ncccc3c2[C@@H]1O	5162103	NCMNKLTXFXNWHC-WCQYABFASA-N	213.236	1.656	0	30	BDAC	
C[C@@]1(c2ccccc2)N[C@@H](C(=O)O)CS1	5723669	RZSNENYNJZGAPV-MWLCHTKSSA-N	223.297	1.649	0	30	BDAC	
CCOC(=O)[C@H]1Nc2ccccc2N=C1O	6870100	MEANTYGGCOIVHC-VIFPVBQESA-N	220.228	1.632	0	30	BDAC	
Clc1ccc(O[C@@H]2CCCNC2)nc1	51872869	WLCBORVYRFBJOS-SECBINFHSA-N	212.680	1.866	0	30	BDAC	
O=C(O)Cc1csc(NCC(F)F)n1	148207820	XRYMONMKJFVUIE-UHFFFAOYSA-N	222.216	1.447	0	30	BDAC	
COC(=O)[C@]1(C)COc2ccc(O)cc2O1	72232988	BDTCCNWCDTTYQD-NSHDSACASA-N	224.212	1.095	0	30	BDAC	
CCOc1cc(CCCN)ccc1OC	9245907	FUVLNAQPNFFSSS-UHFFFAOYSA-N	209.289	1.985	0	30	BDAC	in-vitro
CN1CCC[C@H](c2[nH]nc3c2CCCCN3)C1	3698318	KKSHIJROSMQDAQ-JTQLQIEISA-N	234.347	1.967	0	30	BDAC	
NCCc1ccn(-c2ccc(F)cc2)n1	71790304	XTPXCQGSYYHOKN-UHFFFAOYSA-N	205.236	1.513	0	30	BDAC	in-vitro
CS(=O)(=O)Nc1ccc(S)cc1	20431104	UBHLUCLNITXANH-UHFFFAOYSA-N	203.288	1.347	0	30	BDAC	
CC(C)C[C@@H]1C(=O)N[C@H](CC(C)C)C1=O	39097181	LHRNYUFQFHMAMM-VHSXEESVSA-N	211.305	1.762	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CSC(=O)N1	34485133	QDPWHFPITHUQDX-RXMQYKEDSA-N	218.278	1.294	0	30	BDAC	
CCOCOc1cnc(Cl)cc1C=O	238284074	GMDFNAPQMIWMNJ-UHFFFAOYSA-N	215.636	1.920	0	30	BDAC	
FC1(F)CCN(C[C@@H]2CCCN2)CC1	258048678	JXWXOEQXIBOLIS-VIFPVBQESA-N	204.264	1.470	0	30	BDAC	
CC(=O)c1ccc(CN2CCN(C)CC2)cc1	75844368	KMDROOZVJSEIKV-UHFFFAOYSA-N	232.327	1.637	0	30	BDAC	
COC(=O)[C@H]1[C@H]2CC[C@@]1([C@H]1CCCNC1)C2	958536824	PAFDKGGSLBRPIA-KQXIARHKSA-N	223.316	1.575	0	30	BDAC	
CC(C)OP(=O)(COCCN)OC(C)C	308883415	DUWIUTLNFFHRNL-UHFFFAOYSA-N	239.252	1.962	0	30	BDAC	
Cc1ccc(F)cc1N1C(=O)CSCC1=O	102599	RUMKFIJNENJYDQ-UHFFFAOYSA-N	239.271	1.741	0	30	BDAC	
CC[C@H]1N[C@H](C(=O)OC(C)C)CS1	39100897	GWJDSVNMLMMQKB-YUMQZZPRSA-N	203.307	1.379	0	30	BDAC	
CCOC(=O)[C@]1(F)CNC[C@@]1(C)C(F)(F)F	709740760	BNEDUBQKGUCOIP-HTQZYQBOSA-N	243.200	1.430	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](N)C12CCC2	390822212	VDLQWFAVDYRRGW-BDAKNGLRSA-N	226.320	1.781	0	30	BDAC	
O=C(O)COc1cccc([C@H]2C=NN=N2)c1	15809955	NEKPWACGHGQPMW-SECBINFHSA-N	219.200	1.643	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@H]1CC12CCNCC2	84306728	CBPVNERVNIGMQF-SNVBAGLBSA-N	240.347	1.901	0	30	BDAC	
O=C(O)c1c[nH]c2cc3c(cc12)OCCO3	82367804	YTSSRSCKBFFDDL-UHFFFAOYSA-N	219.196	1.637	0	30	BDAC	
Brc1cnc2c(c1)OCCNC2	238041111	NECOFDZWXMGXER-UHFFFAOYSA-N	229.077	1.326	0	30	BDAC	
Nc1c(C(=O)O)ccc(Br)c1O	5161675	PRAIUJQFEWRCSI-UHFFFAOYSA-N	232.033	1.435	0	30	BDAC	
CCOC(=O)c1c(N)nc2ccccn12	39085529	SQMDRQWVJPZUCF-UHFFFAOYSA-N	205.217	1.093	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H]1NC[C@@H]2CCC[C@H]21	116545318	NEKNRPZRUGJBHN-IVZWLZJFSA-N	211.305	1.716	0	30	BDAC	
CCOC(=O)[C@H]1CNC[C@@]1(C)C(F)F	698803235	JDLGFEFWVGZJCM-HZGVNTEJSA-N	207.220	1.040	0	30	BDAC	
CC(C)(C)C(=O)N1CCCC12CCNCC2	257665634	HDROXMBCCGEAAN-UHFFFAOYSA-N	224.348	1.777	0	30	BDAC	
C[C@@H]1CCN2C(=O)c3ccccc3[C@H]2N1	39105114	UNHBIGQAVITGJE-KCJUWKMLSA-N	202.257	1.523	0	30	BDAC	
CCC[C@H](C)C[C@@]1(C)OC[C@H](CO)O1	393718924	HCQGPTLIUCZCNL-DCAQKATOSA-N	202.294	1.937	0	30	BDAC	
Cc1ccc2ccc(C(=O)O)c(O)c2n1	5931186	SHOHIXCIFBPUAP-UHFFFAOYSA-N	203.197	1.947	0	30	BDAC	
Cc1ccc(C2(O)CCNCC2)c(C)c1	41214051	SPJIBCUVFFOQTA-UHFFFAOYSA-N	205.301	1.874	0	30	BDAC	
Brc1ncn([C@@H]2CCCCO2)n1	118150982	PMOIJEIPLOFHIO-LURJTMIESA-N	232.081	1.740	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)O)[C@H]2C[C@H]21	675050838	SDQMVRKENKZNDJ-UYXSQOIJSA-N	241.287	1.620	0	30	BDAC	
CNC(=O)c1ccccc1SCCC(=O)O	161522	IGRXWHHQJVDOPL-UHFFFAOYSA-N	239.296	1.613	0	30	BDAC	
CN1CCCC[C@@H]1c1noc2c1CCN2	3704123	ZGOVRKIEOHBGDF-SECBINFHSA-N	207.277	1.799	0	30	BDAC	
Nc1nc2cncc(-c3ccccc3F)n2n1	953081498	MAPUBLIDLHWXML-UHFFFAOYSA-N	229.218	1.513	0	30	BDAC	
CCCC[C@H](C[C@@H](C)C(=O)O)C(=O)O	140345377	PAOWIXJMMCDIPE-HTQZYQBOSA-N	202.250	1.988	0	30	BDAC	
CC(=O)c1sccc1NC(=O)CCC(=O)O	82740	UQPXASDOCZCMHA-UHFFFAOYSA-N	241.268	1.754	0	30	BDAC	
O=C(O)[C@H]1CCC[C@@H](Nc2cnccn2)C1	70501547	UNJYOBIWXMEZSB-DTWKUNHWSA-N	221.260	1.532	0	30	BDAC	
CCOC(=O)c1ccc2sc(=O)[nH]c2c1	45237155	ZBILJFOEPSVZQT-UHFFFAOYSA-N	223.253	1.766	0	30	BDAC	
CC1(C)O[C@H]2[C@@H](CO[C@H]3OC(C)(C)O[C@@H]32)O1	263584297	PITVFGWVJISGEN-XAVMHZPKSA-N	230.260	1.014	0	30	BDAC	
CCOC(=O)CC[C@@H](N)c1ccncc1	260022447	GWTGUPKHGDKFBB-SNVBAGLBSA-N	208.261	1.425	0	30	BDAC	
CCOC(=O)[C@@H]1C=CO[C@H](OCC)C1	39098921	JCSMBIJZNNYSBY-BDAKNGLRSA-N	200.234	1.462	0	30	BDAC	
C[C@@H]1CNC(=O)[C@@H](C)N1C(=O)OC(C)(C)C	203001648	DIUMEULIRBZIBH-HTQZYQBOSA-N	228.292	1.130	0	30	BDAC	
CCN1CCC[C@]12C(=O)Nc1ccccc12	33824251	MSIOJTCPQQGQJO-ZDUSSCGKSA-N	216.284	1.950	0	30	BDAC	
CC(=O)NCCCCCOc1ccc(N)cc1	2020626	YHDVDCPJJDZPMQ-UHFFFAOYSA-N	236.315	1.954	0	30	BDAC	
OCCNC(=S)NC1CCCCCC1	4366959	XZVAQQCCBIIANR-UHFFFAOYSA-N	216.350	1.166	0	30	BDAC	
CN(C(=O)OC(C)(C)C)c1nc(C(N)=O)co1	95752018	IPNYXXBIQDQHDB-UHFFFAOYSA-N	241.247	1.145	0	30	BDAC	
CC(C)(C)OC(=O)C(=O)OCC(F)(F)F	97139054	VAYBILISVGIYDM-UHFFFAOYSA-N	228.166	1.434	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CC[C@]2(O)C[C@@H]2C1	642879149	ANYXOONFHQCZBY-KCJUWKMLSA-N	213.277	1.378	0	30	BDAC	
Cn1ccnc1[C@H](N)Cc1ccccc1	11848578	HBGVXAOFVOEQFE-LLVKDONJSA-N	201.273	1.663	0	30	BDAC	
CCc1cnc(CC)c(N[C@@H](CC)CO)n1	39102445	QFJZSDNYQQFOPC-JTQLQIEISA-N	223.320	1.784	0	30	BDAC	
FC(F)(F)c1cnc(C2CCNCC2)nc1	62720790	UADXUTYYMOWJFY-UHFFFAOYSA-N	231.221	1.962	0	30	BDAC	in-vitro
Cc1cc(=O)c(O)cn1-c1ccccc1	222346488	OFJQBVKWCBDTBQ-UHFFFAOYSA-N	201.225	1.852	0	30	BDAC	
CC(C)(O)C(=O)OCCc1ccccc1	2023686	KMIPJIHGWNMYRS-UHFFFAOYSA-N	208.257	1.543	0	30	BDAC	
O=C(O)[C@@]1(Br)CC1(F)F	204653071	NXXRZIRNWKGADN-VKHMYHEASA-N	200.966	1.244	0	30	BDAC	
COc1ccc(C=Cc2ccc(=O)n(C)n2)cc1	2265276331	VZUFDAHNIOHXPA-UHFFFAOYSA-N	242.278	1.959	0	30	BDAC	
CSc1ncc(-c2nnc(S)n2C)n1C	168964	BTZLGVJBHIOUAR-UHFFFAOYSA-N	241.345	1.226	0	30	BDAC	
O=S(=O)(O)c1cc(O)c2ccc(O)cc2c1	5845004	DMYHTSZRAULBDW-UHFFFAOYSA-N	240.236	1.498	0	30	BDAC	
CC(C)NC(=O)NCCNC(=O)OC(C)(C)C	3078781	ABMJSNZITSXVEA-UHFFFAOYSA-N	245.323	1.219	0	30	BDAC	
CC(=O)Oc1ccc(N2CCCC2=O)cc1	3634887	FPQOGNXITGCHBL-UHFFFAOYSA-N	219.240	1.739	0	30	BDAC	
CCOC(=O)c1c[nH]n(-c2ccccc2F)c1=N	725325388	AHAAGFDIKBYHED-UHFFFAOYSA-N	249.245	1.601	0	30	BDAC	
O=C1CC(Cc2ccccc2)(C(=O)O)C1	201493622	SSNVIXSYBXCUBZ-UHFFFAOYSA-N	204.225	1.663	0	30	BDAC	
Nc1cncc(N)c1NCC[C@H]1CCCNC1	205035719	GVLVCLCTGQHOMS-SECBINFHSA-N	235.335	1.048	0	30	BDAC	
CC(C)(C)OC(=O)N1CCO[C@@H](C(C)(C)O)C1	1535949020	AYAMMHUWFRKYBA-SECBINFHSA-N	245.319	1.393	0	30	BDAC	
O=C1O[C@]2(CC[C@H](C(=O)O)CC2)c2cccnc21	2265339949	QVKVHAMNAXHWKW-XCSCGOTBSA-N	247.250	1.722	0	30	BDAC	
CCCCOCCO[C@@H](C)CO[C@H](C)CO	33638053	LOXNJBRAZNAGGB-NEPJUHHUSA-N	234.336	1.606	0	30	BDAC	
NCCc1nc2ccccc2n1CC1CC1	82501221	QZQHQZMQRWIGGO-UHFFFAOYSA-N	215.300	1.948	0	30	BDAC	
COC(=O)c1ccc([C@H]2CCCN2)s1	238402577	DPUGWQFBYPFMQG-SSDOTTSWSA-N	211.286	1.959	0	30	BDAC	
CCOC(=O)Cc1nc2ccc(C)cc2[nH]1	13281739	KSIHSZGRNBFCOR-UHFFFAOYSA-N	218.256	1.977	0	30	BDAC	
C[C@H]1[C@@H](C)N(N=O)[C@H](C)[C@@H](C)N1N=O	27878729	OHOJWCVESZTLQZ-XUTVFYLZSA-N	200.242	1.521	0	30	BDAC	
Cc1cc(O)c(SCC(=O)O)cc1O	39097569	GDLTTWIPUMIFIG-UHFFFAOYSA-N	214.242	1.583	0	30	BDAC	
C/C=C\C(=O)N(CC)[C@@H](CC)C(=O)N(C)C	31297951	LSAMUAYPDHUBQD-MBACFSSFSA-N	226.320	1.278	0	30	BDAC	
COC(=O)[C@H]1CN=C(OC)CC12CCC2	1535640534	OQTGUCZHZHVWJU-MRVPVSSYSA-N	211.261	1.395	0	30	BDAC	
C[C@@H]1COC(=O)[C@H]1NC(=O)OC(C)(C)C	213824758	BCLBUZPBCTWGNG-RQJHMYQMSA-N	215.249	1.073	0	30	BDAC	
CN(C)C[C@H](O)c1cc(F)c(F)c(F)c1	204518102	QEMPOWXQAVOYFY-VIFPVBQESA-N	219.206	1.699	0	30	BDAC	
Cc1cc(NC(=O)NCc2cccnc2)no1	118852	HHFSADAYDWXBBQ-UHFFFAOYSA-N	232.243	1.700	0	30	BDAC	
Cc1ccc(Oc2c(C)nc(N)[nH]c2=O)cc1	13469665	KNGXSGWEFJQZIE-UHFFFAOYSA-N	231.255	1.761	0	30	BDAC	
CNC[C@@H]1CCN(C)[C@H]1c1cccnc1	98210291	IHKBPCQCLHTOOZ-RYUDHWBXSA-N	205.305	1.294	0	30	BDAC	
COC(=O)C1(NCc2ccccc2)CC1	39086905	IGNWLQZHVDDKEM-UHFFFAOYSA-N	205.257	1.482	0	30	BDAC	
COC(=O)c1cc2cc(N)cc(O)c2o1	39075598	OJGIWNADLXYJQI-UHFFFAOYSA-N	207.185	1.507	0	30	BDAC	
CCn1nc(C2=CCCN(C)C2)cc1C	36438743	AIBQBFIMLPCRST-UHFFFAOYSA-N	205.305	1.930	0	30	BDAC	
CC(=O)N[C@@H](CSC(C)(C)C)C(=O)O	81129965	DLMWKKBRGFAKDE-ZETCQYMHSA-N	219.306	1.107	0	30	BDAC	
CCOC(=O)[C@H]1CCC(=O)C[C@@H]1C(F)F	725271412	MLAGCGJBGXPTOS-YUMQZZPRSA-N	220.215	1.800	0	30	BDAC	
C[C@@H]1CCn2ncc(Br)c2N1	235359001	OGSYRKYAMHTWJK-RXMQYKEDSA-N	216.082	1.850	0	30	BDAC	
CN1CCC(Oc2ccc(CN)cc2)CC1	20352317	PZEYBVDPDHNLET-UHFFFAOYSA-N	220.316	1.618	0	30	BDAC	in-vitro
COC(=O)c1ccc(O)c(NC(C)C)c1	34415515	PSAYBEDVMCRQJB-UHFFFAOYSA-N	209.245	1.999	0	30	BDAC	
O=C(O)c1cccc(Nc2ncc[nH]2)c1	20446381	JEGXEIJQLIWESF-UHFFFAOYSA-N	203.201	1.852	0	30	BDAC	
COCCS(=O)(=O)c1ccc(N)cc1Cl	88065035	NPSWTJONTYZAFK-UHFFFAOYSA-N	249.719	1.342	0	30	BDAC	
Nc1nc(F)nn2c(Br)ccc12	114631515	MDLCXCFFNSWYNV-UHFFFAOYSA-N	231.028	1.213	0	30	BDAC	
CN(C)C(=O)Oc1noc2ccccc12	75914	CDLCMSLYICKBFX-UHFFFAOYSA-N	206.201	1.888	0	30	BDAC	
COc1ccc([C@H](N)C(=O)O)cc1C(F)(F)F	72196644	LPAMQBLRFSMSSA-QMMMGPOBSA-N	249.188	1.798	0	30	BDAC	
C[C@H](N)Cc1c[nH]c2c(O)ccc(O)c12	138146577	DIUUKYJMDPGWBV-LURJTMIESA-N	206.245	1.469	0	30	BDAC	
COc1cccc2c1OC[C@H]1CON(C)[C@H]21	33629427	BKOLIUJDPAKAHH-KWQFWETISA-N	221.256	1.622	0	30	BDAC	
NC1CCC(c2nnc3n2CCC3)CC1	37472101	PQESWMRMEFARLK-UHFFFAOYSA-N	206.293	1.209	0	30	BDAC	
C[C@H](O)Cc1cn(-c2ccccc2)nn1	72155229	HWWBQLZSSLLCEW-VIFPVBQESA-N	203.245	1.191	0	30	BDAC	
CC(C)(C)OC(=O)N(CC(=O)O)C1CCC1	211527615	GFXHZLIWJBHHGR-UHFFFAOYSA-N	229.276	1.861	0	30	BDAC	
NCc1cccc(-n2ccc(C(=O)O)n2)c1	216713630	LWSQXQCHPJDKPA-UHFFFAOYSA-N	217.228	1.029	0	30	BDAC	
Cc1cc(=O)c(O)cn1Cc1ccccc1	526915529	LHAXURNWLWAQGR-UHFFFAOYSA-N	215.252	1.911	0	30	BDAC	
CCOC(=O)/C=C/[S@@](=O)c1ccccc1	5650493	CSHWPMGIWDFXRH-HVHJFMEUSA-N	224.281	1.871	0	30	BDAC	
COC(=O)COc1cc(N)c(Cl)cc1C	68593335	VOVXYPRNCCAWSV-UHFFFAOYSA-N	229.663	1.782	0	30	BDAC	in-vitro
COC[C@H](Oc1cc(F)cc(F)c1)C(=O)O	232391234	PRSFJSWCWKYSHB-VIFPVBQESA-N	232.182	1.443	0	30	BDAC	
CC[C@H]1CCc2[nH]c(=O)c(C(=O)O)cc2C1	43404544	TXWUFMDSIXFBPI-ZETCQYMHSA-N	221.256	1.588	0	30	BDAC	
CC(=O)C1CCN(CC(F)(F)F)CC1	82644840	MUSSYPFORZKOAY-UHFFFAOYSA-N	209.211	1.850	0	30	BDAC	
Nc1cccc([C@@H](N)C(F)(F)F)c1F	238627861	YGRAUONZEGMBMX-SSDOTTSWSA-N	208.158	1.970	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1CN	258224824	LYNFEJDBRSBOFH-GUBZILKMSA-N	226.320	1.591	0	30	BDAC	
O=c1cc(Br)ccn1C1COC1	205003627	OSUJDRTWVIRETD-UHFFFAOYSA-N	230.061	1.182	0	30	BDAC	
O=C(O)C=C=Cc1ncc(Br)cn1	642881843	UZYRHNXOZAIHQQ-UHFFFAOYSA-N	241.044	1.492	0	30	BDAC	
COC(=O)[C@H]1CS[C@@H](c2ccccc2)N1	21988738	SGFAUQHDEFHPAQ-ZJUUUORDSA-N	223.297	1.563	0	30	BDAC	
O=C(O)C(Cc1ccccc1Cl)C(=O)O	2505298	KSQGBHMXXFRHQI-UHFFFAOYSA-N	228.631	1.668	0	30	BDAC	
CC1=C(Cl)C(=O)O[C@]1(C)CN(C)C	85685	GVZNWFBCWCSSKC-SECBINFHSA-N	203.669	1.376	0	30	BDAC	
CN1CCc2cc3c(cc2C1=O)OCO3	5966916	WIUVXEAALLSOQN-UHFFFAOYSA-N	205.213	1.043	0	30	BDAC	biogenic,in-vitro
O=C(O)CCN1C(=O)CCc2cc(F)ccc21	35355555	ZRLSHPXNIUZXJC-UHFFFAOYSA-N	237.230	1.580	0	30	BDAC	in-vitro
Cn1ccnc1C[C@H](N)c1ccccc1	20442313	FCQJZGCFXNHCHP-NSHDSACASA-N	201.273	1.663	0	30	BDAC	
CC(=N)c1c(O)c2ccccc2n(C)c1=O	100402023	BJZLQGGZBBXOOQ-UHFFFAOYSA-N	216.240	1.632	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)O	238185969	KYHGZORJGSFFSC-SFYZADRCSA-N	245.275	1.001	0	30	BDAC	
Nc1cc(-c2cccc(Cl)c2)nc(N)n1	44263045	QIHOEPQKNFPIGB-UHFFFAOYSA-N	220.663	1.961	0	30	BDAC	in-vitro
FC(F)(F)c1ccn([C@H]2CCCNC2)n1	43298974	NKMNOYDMGSWCJV-ZETCQYMHSA-N	219.210	1.826	0	30	BDAC	in-vitro
C[C@@H]1CNC[C@@H]1CNC(=O)OCc1ccccc1	307078056	MOLMLWGKYIEJFM-DGCLKSJQSA-N	248.326	1.768	0	30	BDAC	
O=S(=O)(O)[C@H]1CCCc2ccccc21	33506374	BGLLQCPSNQUDKF-JTQLQIEISA-N	212.270	1.952	0	30	BDAC	
COC(=O)[C@@H]1Nc2ccccc2C[C@@H]1C	197434104	JNVRQUOTLAFANC-GZMMTYOYSA-N	205.257	1.832	0	30	BDAC	
O=C(O)[C@]1(F)CNC[C@@H]1c1ccccc1	238860546	ZVYYZPGPSQASCY-KOLCDFICSA-N	209.220	1.166	0	30	BDAC	
Oc1n[nH]c2nccc(Br)c12	514285504	LMICZCGDDPWUQI-UHFFFAOYSA-N	214.022	1.426	0	30	BDAC	
CC(C)NC(=S)NCCc1ccncc1	151104	OXJKLXTWTNZEKX-UHFFFAOYSA-N	223.345	1.497	0	30	BDAC	
CCNP(=O)(NCC)c1ccccc1	21998558	FCDLGJJTLMJQDD-UHFFFAOYSA-N	212.233	1.724	0	30	BDAC	
O=Cc1cnc2ncc(Br)cn12	89229090	PAOLBUPEQYBJIQ-UHFFFAOYSA-N	226.033	1.304	0	30	BDAC	
C[C@@H]1CNC(=O)c2cc3ccc(C(=O)O)nc3n21	117697365	RLCPACPFZMIYKO-ZCFIWIBFSA-N	245.238	1.039	0	30	BDAC	
CCNC(=O)[C@@]1(c2ccccc2)C[C@@H]1CN	26964692	UVKUMJGXPDEXSQ-DGCLKSJQSA-N	218.300	1.039	0	30	BDAC	in-vitro
COc1ccc([C@@H]2[C@H](CO)CCC(=O)N2C)cc1	68575662	MKOORXKZEHGBSM-SMDDNHRTSA-N	249.310	1.597	0	30	BDAC	in-vitro
COc1ccc2c(c1)[C@H](C)C(=O)NCC2	144523020	HLCVUAUNVLGJEG-QMMMGPOBSA-N	205.257	1.471	0	30	BDAC	
CCC(CC)C(=O)N1CCC(C(=O)OC)CC1	6309421	LJLORSNUOUJSND-UHFFFAOYSA-N	241.331	1.834	0	30	BDAC	
O=C(O)Cc1cncc(C(F)(F)F)n1	82379226	ROERATAIKSBXGQ-UHFFFAOYSA-N	206.123	1.123	0	30	BDAC	
CC[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)O	250244353	NZFXXUSVMTWINN-QEYWKRMJSA-N	225.288	1.402	0	30	BDAC	
CCOC(=O)[C@H](N)c1c[nH]c2ccccc12	34409062	IVHQNHHFWAQLNC-LLVKDONJSA-N	218.256	1.731	0	30	BDAC	
COC(=O)[C@H](O)c1ccc(Cl)c(F)c1	50975136	VFZKBSXCUYNSAZ-MRVPVSSYSA-N	218.611	1.686	0	30	BDAC	
Cc1ccccc1NCCS(=O)(=O)O	98090897	ARTRSIWXLHBPAK-UHFFFAOYSA-N	215.274	1.295	0	30	BDAC	
Oc1ccc(O)c2c1[C@H](O)c1ccccc1[C@H]2O	33506399	ZIKKFAGENVKXRO-ZIAGYGMSSA-N	244.246	1.575	0	30	BDAC	
CCOC(=O)Cc1nc2ccc(NC)nc2[nH]1	94263692	CCWJWGMTCCOLAK-UHFFFAOYSA-N	234.259	1.105	0	30	BDAC	
CNC(=O)[C@H](c1ccc(C)cc1)C1CCNCC1	2265384994	OISXUOVZKRJUBN-CQSZACIVSA-N	246.354	1.824	0	30	BDAC	
O=C(O)/C=C(/Sc1ccccc1)C(=O)O	4300835	KLLLLEFDGHBUOZ-SOFGYWHQSA-N	224.237	1.832	0	30	BDAC	
O=C(Oc1ccccc1)N1C=CC=C(CO)C1	1433271	HHIFIKVMDNEBKJ-UHFFFAOYSA-N	231.251	1.933	0	30	BDAC	
O=C(O)CCCCCCC[C@H](O)C(=O)OO	223700433	BJXKRPXJCOZCRQ-QMMMGPOBSA-N	234.248	1.179	0	30	BDAC	
O=C(O)[C@H]1Cc2c(Br)cccc2O1	258293594	URAQPWNKENLHSS-MRVPVSSYSA-N	243.056	1.837	0	30	BDAC	
CCCCOCCOC[C@H](C)O[C@@H](C)CO	33638059	HJOGMSDBCIAOPG-RYUDHWBXSA-N	234.336	1.606	0	30	BDAC	
COC(=O)[C@@H](N)Cc1cn(C)c2ccccc12	39203346	KMSKYVDBQZIXDU-NSHDSACASA-N	232.283	1.221	0	30	BDAC	
COc1ccc(CN)c(Br)c1	69803541	KNPWNLAHPISBBC-UHFFFAOYSA-N	216.078	1.916	0	30	BDAC	
CN=[S@@](C)(=O)c1ccc(C(=O)O)cc1	521399864	WBRKDISQTZIBGW-AWEZNQCLSA-N	213.258	1.471	0	30	BDAC	
CNCC1CCN(c2ccncc2)CC1	53664069	CUGFKSMLJYKCPL-UHFFFAOYSA-N	205.305	1.517	0	30	BDAC	in-vitro
C[C@@]1(C2CCCCC2)OC[C@H](CO)O1	95810981	MNGGBXINICRUAP-WDEREUQCSA-N	200.278	1.691	0	30	BDAC	
CCOC(=O)CCSSCCC(=O)O	199473212	LZNTXQYZUMESKC-UHFFFAOYSA-N	238.330	1.796	0	30	BDAC	
CCCN(CCC)C[C@@H](C)C(=O)OC	33506151	VGUXUBAHVQOINX-SNVBAGLBSA-N	201.310	1.918	0	30	BDAC	
O=C(O)[C@H](O)c1ccc(F)c(Br)c1	40733935	NQLXSLVZWWAYKM-SSDOTTSWSA-N	249.035	1.706	0	30	BDAC	
O=C(Nc1ccccc1)N[C@H]1CCCCNC1=O	141608	UAHKLTCJHGNNFB-NSHDSACASA-N	247.298	1.477	0	30	BDAC	
Cc1cccc(N2CCN(N=O)CC2)c1	2265365059	WICGXFXYMNQQIR-UHFFFAOYSA-N	205.261	1.798	0	30	BDAC	
O=C(Nc1nnc(C2CC2)s1)C(F)(F)F	1040800	IANVPJJGYBJLRH-UHFFFAOYSA-N	237.206	1.916	0	30	BDAC	
N=C1CC(=O)N=C2SC(C3CC3)=NN12	4300677	MNEZIJXOJVIDAH-UHFFFAOYSA-N	208.246	1.022	0	30	BDAC	
O=C(O)[C@H]1CCC[C@H](Nc2cnccn2)C1	70501549	UNJYOBIWXMEZSB-IUCAKERBSA-N	221.260	1.532	0	30	BDAC	
CS(=O)(=O)c1ccc(N)c2cnccc12	35332335	ZPNMKLWPPTUHIF-UHFFFAOYSA-N	222.269	1.221	0	30	BDAC	
COc1ccc(CON)cc1Br	84514209	QERUYDTXCMDLTG-UHFFFAOYSA-N	232.077	1.848	0	30	BDAC	
O=C(NC[C@@H]1Cc2ccccc2N1)C(F)(F)F	299805457	PCEXPODRFRXERJ-QMMMGPOBSA-N	244.216	1.702	0	30	BDAC	
CC(=O)N1C[C@]2(C[C@@H]3O[C@@H]3C2)[C@@H]1C(C)C	669371680	PPDQDCUQEYLFEM-WHOHXGKFSA-N	209.289	1.421	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3N	306707323	LWPWUINBEYWRGR-QUARPLMYSA-N	238.331	1.589	0	30	BDAC	
COC(=O)C1=C(O)CCN(Cc2ccccc2)C1	100132616	NIOZGZNXEHVZNI-UHFFFAOYSA-N	247.294	1.877	0	30	BDAC	
COC(=O)Cc1ncc(C)c(OC)c1C	213851080	FKOFOSXBHHEUGC-UHFFFAOYSA-N	209.245	1.423	0	30	BDAC	
COCNC(=O)c1ccc(C(F)(F)F)cn1	396138090	FPPUMGFJXRNLBG-UHFFFAOYSA-N	234.177	1.434	0	30	BDAC	in-vitro
Cn1nc(C(F)(F)F)cc1[S@](=O)O	675062550	HXUYIEGNVZTJMV-UHFFFAOYSA-N	214.168	1.020	0	30	BDAC	
COC(=O)c1cc2c([nH]1)CC(F)(F)C2=O	115008481	ZOTKBYZCGYSECE-UHFFFAOYSA-N	215.155	1.175	0	30	BDAC	
CSc1nnc(C(C)(C)C)c(=O)n1C	34064660	VBTUAVIKAKCNHZ-UHFFFAOYSA-N	213.306	1.195	0	30	BDAC	
Cc1ccc(C(=O)[C@@H]2CCC(=O)N2C)cc1	33506658	FAZNFGVZSSOHQE-NSHDSACASA-N	217.268	1.799	0	30	BDAC	
C[C@@H](CN)c1ccncc1Br	215754224	JRGPGXISOWSTIU-LURJTMIESA-N	215.094	1.906	0	30	BDAC	
O=C(O)c1ccc(-c2cccnc2)cn1	47214441	KEZVNXXJTWWOGL-UHFFFAOYSA-N	200.197	1.842	0	30	BDAC	
CCOC(=O)[C@@H]1CCc2sc(N)cc21	260999799	VDLYSBUSVBBOSP-ZCFIWIBFSA-N	211.286	1.923	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CC12CC(=O)C2	723453286	NOHPNCADBPHBEG-QMMMGPOBSA-N	211.261	1.633	0	30	BDAC	
CCOC(=O)c1cnc(C(F)(F)F)cc1CO	2265378655	BCXXCUMNOLDHSR-UHFFFAOYSA-N	249.188	1.769	0	30	BDAC	
Cc1ccc(-n2ccnc2N2CCNCC2)cc1	11920170	WKCHMZRKOJXSJZ-UHFFFAOYSA-N	242.326	1.590	0	30	BDAC	
COC(=O)[C@@]1(C)COc2ccc(O)cc2O1	72232987	BDTCCNWCDTTYQD-LLVKDONJSA-N	224.212	1.095	0	30	BDAC	
COC(=O)c1cc(C)c2c(c1)OCCO2	39135170	HZJRPRVXBQCNTN-UHFFFAOYSA-N	208.213	1.553	0	30	BDAC	
O=c1nc(-c2ccc(Br)cc2)o[nH]1	98209707	GNMCOXRMXKKCQI-UHFFFAOYSA-N	241.044	1.792	0	30	BDAC	
COc1cc(N2CCCC2)c(OC)cc1N	5115710	ZZZKWNDGJQZREU-UHFFFAOYSA-N	222.288	1.886	0	30	BDAC	
O=C(O)[C@H](O)c1nc2ccccc2s1	76163437	GFVRQDULUIFHHS-SSDOTTSWSA-N	209.226	1.414	0	30	BDAC	
Cc1ccc(O)c(C2=N[C@H](C(=O)O)CC2)c1	26015398	NTQBXVPEDYGKKS-JTQLQIEISA-N	219.240	1.737	0	30	BDAC	
COc1ccc([C@H]2[C@@H](CO)CC(=O)N2C)cc1	68575851	JGWMURNQDNQMFL-MFKMUULPSA-N	235.283	1.207	0	30	BDAC	in-vitro
O=C(O)c1cc(F)c(O)cc1Br	306237228	FUBPKMLIGRQCCI-UHFFFAOYSA-N	235.008	1.992	0	30	BDAC	
CC1(C)C(=O)N[C@@H]1c1nccn1C1CC1	711745427	HJWLTXSMZJKWCB-MRVPVSSYSA-N	205.261	1.415	0	30	BDAC	
CC(=O)c1ccc(Cl)c(N2C(=O)C=CC2=O)c1	12368539	KVUOFJPCCYUXBL-UHFFFAOYSA-N	249.653	1.972	0	30	BDAC	
O=C(O)Cc1ccc(-c2cncnc2)cc1	33428448	JTRFDRHXCMTRFA-UHFFFAOYSA-N	214.224	1.771	0	30	BDAC	
Cc1ncsc1CN(C)C[C@H]1CCNC1	70543193	RFQYNJPICQWNJS-JTQLQIEISA-N	225.361	1.493	0	30	BDAC	in-vitro
C[C@@H]1C[C@@H](OC[C@H](O)CO)CC(C)(C)C1	148024476	XLNQVDHZDZPRJL-GMTAPVOTSA-N	216.321	1.571	0	30	BDAC	
Fc1ccc(OC[C@@H]2CNCCO2)cc1F	35811641	FWGZLYHSKGFEEA-VIFPVBQESA-N	229.226	1.332	0	30	BDAC	in-vitro
COC(=O)c1ccc(F)c2c1CNCC2	521398971	GVOOQTXMCOWTGF-UHFFFAOYSA-N	209.220	1.258	0	30	BDAC	
CCc1nc2sc(C)cn2c1C(=O)O	40438640	CQYBCFIZGICZEB-UHFFFAOYSA-N	210.258	1.965	0	30	BDAC	
COC(=O)[C@@H](N)Cc1ccc(C(F)(F)F)nc1	19616357	OHIOGPXRWIHXSB-ZETCQYMHSA-N	248.204	1.143	0	30	BDAC	
COc1ccnc(COC(C)=O)c1OC	39075725	LALICKMKNTYIDF-UHFFFAOYSA-N	211.217	1.162	0	30	BDAC	in-vitro
CCCCCCO[P@](=O)(O)OCCO	33608857	MMNVEVSSTIECDE-UHFFFAOYSA-N	226.209	1.693	0	30	BDAC	
COCCn1ccnc1[C@H]1NCC1(C)C	536948741	NRLJUAQFYGGZQY-SECBINFHSA-N	209.293	1.200	0	30	BDAC	
C[C@@H](CCCN)NC(=O)OC(C)(C)C	39091369	VGFSVDUGQNCSSD-QMMMGPOBSA-N	202.298	1.639	0	30	BDAC	
N=C(N)Cc1cccc(Br)n1	84289609	HQMQOXLXLYFECS-UHFFFAOYSA-N	214.066	1.323	0	30	BDAC	
COc1c(O)c(OC)c2ccc(=O)oc2c1O	14725617	AXXSKWGVOIJTGN-UHFFFAOYSA-N	238.195	1.221	0	30	BDAC	
COC(=O)C1=C[C@@](C)(c2ccccc2)OC1=O	21988544	NNGRXHBOOLAXCB-ZDUSSCGKSA-N	232.235	1.558	0	30	BDAC	
CC(C)(C)OC(=O)CC[S@@](C)(=N)=O	1554770513	REFLTIMQEPLOGR-ZDUSSCGKSA-N	207.295	1.395	0	30	BDAC	
N[C@H](CO)c1ccc(OCC(F)F)cc1	215888306	FPKACVZCEAUVEL-SECBINFHSA-N	217.215	1.323	0	30	BDAC	
C1CN[C@H](CN2C[C@H]3CCCC[C@H]3C2)C1	378898558	FOANHACZKNROEL-XQQFMLRXSA-N	208.349	1.860	0	30	BDAC	
N#Cc1cnc2ccc(Br)nn12	217065549	MIKUUSDRKKCLFZ-UHFFFAOYSA-N	223.033	1.363	0	30	BDAC	
CCOC(=O)c1nccc(Br)c1N	238283532	FPGVMKMPKNAPLZ-UHFFFAOYSA-N	245.076	1.603	0	30	BDAC	
CC(C)(C)OC(=O)N1CC=CC[C@@H]1CO	208962730	LTMIDZWWNNIEPG-SECBINFHSA-N	213.277	1.544	0	30	BDAC	
CN[C@H](C)CCNC(=O)OC(C)(C)C	214385517	RDMLKVWMUSZEGD-MRVPVSSYSA-N	202.298	1.509	0	30	BDAC	
Nc1ccccc1CNC1CCC(O)CC1	33610909	UERRZQCPQRIPHN-UHFFFAOYSA-N	220.316	1.662	0	30	BDAC	in-vitro
c1ccc(CN(C2CC2)C2CNC2)cc1	86410417	GXMSVYVYUQYAJK-UHFFFAOYSA-N	202.301	1.623	0	30	BDAC	
CC(C)(C)OC(=O)N[C@]12CCCN[C@@H]1C2	238200125	KDYRDBVOOUHWNP-KCJUWKMLSA-N	212.293	1.406	0	30	BDAC	
COC(=O)c1cc2c([nH]c1=O)CCCCC2	72417110	QKLYDVWIMFAAMO-UHFFFAOYSA-N	221.256	1.430	0	30	BDAC	in-vitro
N=c1ccccn1C[C@H](O)c1ccccc1	100247732	RARUKSNTVDEKEY-LBPRGKRZSA-N	214.268	1.701	0	30	BDAC	
CSCCC(=O)N1CCCSCC1	308309699	QQIDSGRJDOPPOT-UHFFFAOYSA-N	219.375	1.705	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CCN[C@H]21	536952877	GEDZHUPGNTZCPE-IVZWLZJFSA-N	226.320	1.652	0	30	BDAC	
Brc1cncc2c1CCNC2	82372093	GQQJGWKMNGJWFY-UHFFFAOYSA-N	213.078	1.490	0	30	BDAC	
CC1(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)N=N1	616582363	OMAJGFBHQOFABU-ZCFIWIBFSA-N	243.263	1.536	0	30	BDAC	
COc1ccc(=O)n(CCOc2ccccc2)n1	188883935	XLEZVKZQDLWZNE-UHFFFAOYSA-N	246.266	1.331	0	30	BDAC	
COC(=O)c1nc(N)cnc1OC(C)(C)C	642882262	LGJPTAQWTPUPHJ-UHFFFAOYSA-N	225.248	1.023	0	30	BDAC	
COc1ccc(C(=O)CN(C)C)cc1OC	21298997	HFQMZHBEAQBKQW-UHFFFAOYSA-N	223.272	1.448	0	30	BDAC	
O[C@H]1CCC[C@H]1CNCc1ccccc1	4262558	XEFKGMPALYXZAW-STQMWFEESA-N	205.301	1.937	0	30	BDAC	
Cc1nc(I)c(C)[nH]1	32253662	GMGMFDAYRXIPQV-UHFFFAOYSA-N	222.029	1.631	0	30	BDAC	
Cc1cc(N2CCCNC2=O)ccc1C(=O)O	44750525	PDVXIGWCGSGFBE-UHFFFAOYSA-N	234.255	1.613	0	30	BDAC	
NC(=S)[C@@H]1CCN(Cc2ccccc2)C1	143906969	SXSKQICXHDANJG-LLVKDONJSA-N	220.341	1.795	0	30	BDAC	
O=C1CC(C(F)(F)C(F)(F)F)=NN1	503908682	KNZKMHMXWWWRAJ-UHFFFAOYSA-N	202.082	1.060	0	30	BDAC	
CC(=O)c1cnc2n1CC(Br)=CO2	607716803	RSXDXHRENKZVLH-UHFFFAOYSA-N	243.060	1.714	0	30	BDAC	
COCc1cc(O)c(NC(C)=O)cc1O	13351016	WCSXQBAXPUYDDV-UHFFFAOYSA-N	211.217	1.203	0	30	BDAC	
CCCCCC(=S)N(C)CC(=O)O	39124762	UOWKAZHIBXWTQM-UHFFFAOYSA-N	203.307	1.911	0	30	BDAC	
CC(C)(C)OC(=O)NCC[S@@](C)(=N)=O	1535647236	GBBXHNSJKIYNEC-AWEZNQCLSA-N	222.310	1.188	0	30	BDAC	
CNC[C@H](O)COc1ccc(C)c(C)c1	19864663	KHWHIJCHKORAQQ-NSHDSACASA-N	209.289	1.263	0	30	BDAC	
C[C@@H]1NCC[C@@H](C)[C@H]1NC(=O)C(F)(F)F	238853808	LGJUIJNHRURUAE-DSYKOEDSSA-N	224.226	1.051	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1C=CC[C@@H](C(=O)O)C1	2518236	WRDLRBISLUXLKZ-BDAKNGLRSA-N	241.287	1.931	0	30	BDAC	
Cc1ccccc1[C@@]12CO[C@@H](C1)[C@H]2C(=O)O	757543042	LHBNCNUFQRESLR-GVXVVHGQSA-N	218.252	1.736	0	30	BDAC	
O=C1CCOc2cc3c(cc21)C(=O)CCO3	68684	HGYUCTLTHFRTSQ-UHFFFAOYSA-N	218.208	1.617	0	30	BDAC	
CC(C)(C)OC(=O)NCCNc1cccnn1	135240808	WDLZKGUIBRHKEY-UHFFFAOYSA-N	238.291	1.413	0	30	BDAC	
NS(=O)(=O)c1ccc(F)c2cnccc12	389585324	LXZPVDSFXWMIER-UHFFFAOYSA-N	226.232	1.021	0	30	BDAC	
CC(C)(C)O[C@H]1C[C@@H](N)C12CCOCC2	675050674	HFWPJTIRIQFVTJ-ZJUUUORDSA-N	213.321	1.698	0	30	BDAC	
CCCC(C)(C)C(=O)N[C@@H](C)C(=O)O	39135734	OBLSNILGJHOBGL-ZETCQYMHSA-N	201.266	1.402	0	30	BDAC	
CCCCCCC(COC(N)=O)COC(N)=O	5820253	TWTOBQHCWWWHCI-UHFFFAOYSA-N	246.307	1.764	0	30	BDAC	
COC(=O)C[C@@](C)(N)c1cccc(F)c1	86851645	XXDJDTWVPFZLKM-LLVKDONJSA-N	211.236	1.563	0	30	BDAC	in-vitro
COC[C@]1(C(=O)O)CCN1C(=O)OC(C)(C)C	2265385449	ZITAVRBGDFXMKA-NSHDSACASA-N	245.275	1.097	0	30	BDAC	
C[C@@H](CO)Nc1ncccc1Br	42375971	INZAWDRVDDLXQC-LURJTMIESA-N	231.093	1.637	0	30	BDAC	
CNCc1cccc2c1OC(F)(F)O2	82912762	SHYCNKFKIMBACP-UHFFFAOYSA-N	201.172	1.728	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@]12CCCN[C@H]1C2	238135408	KDYRDBVOOUHWNP-GZMMTYOYSA-N	212.293	1.406	0	30	BDAC	
CC(C)(O)C(C)(C)OB(O)[C@@H]1CCCOC1	384157122	QSWAYCZGQYPRFM-SECBINFHSA-N	230.113	1.214	0	30	BDAC	
CC(C)(C)OC(=O)N1CC/C(=C(/F)C(=O)O)C1	390776095	OOPFIYKQZSRWIZ-FPLPWBNLSA-N	245.250	1.935	0	30	BDAC	
CN(CCC1=NCCN1)C(=O)OC(C)(C)C	685945548	ZCFIUXXWRZMMQX-UHFFFAOYSA-N	227.308	1.245	0	30	BDAC	
CCCCCCOC(=O)[C@@H](C)OC(=O)[C@@H](C)O	1724030	GVMIXAYWPARWDD-NXEZZACHSA-N	246.303	1.422	0	30	BDAC	
CCOC(=O)c1ccc(N)c(Cl)n1	95762448	GFHAARCXFQKMGX-UHFFFAOYSA-N	200.625	1.494	0	30	BDAC	
O=C(O)[C@@]1(F)CNC[C@@H]1c1ccccc1	238860547	ZVYYZPGPSQASCY-MWLCHTKSSA-N	209.220	1.166	0	30	BDAC	
COC(=O)c1cc(Cl)n(C(F)F)c(=O)c1	238850503	BXTPYJDGLGGFEP-UHFFFAOYSA-N	237.589	1.683	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@H](NCCF)C1	217805081	UWXRRSKEKSNZFS-JTQLQIEISA-N	246.326	1.945	0	30	BDAC	
COC(=O)c1cc(F)c2oc(=O)[nH]c2c1	261217917	SXOMNVOOIPIWEZ-UHFFFAOYSA-N	211.148	1.047	0	30	BDAC	
COC(OC)[C@H](O)OCCc1ccccc1	3604091	CSUCHWPVXAASIC-LLVKDONJSA-N	226.272	1.183	0	30	BDAC	
COc1cc2c(c3c1OCO3)[C@H](C)N(C)CC2	2017925	PNFBXEKHLUDPIM-QMMMGPOBSA-N	235.283	1.973	0	30	BDAC	biogenic,in-vitro
O=C(O)CS(=O)(=O)C=Cc1ccccc1	5224314	WCOXFTGMNJJABC-UHFFFAOYSA-N	226.253	1.157	0	30	BDAC	
CC[C@H]1SC[C@H](C(=O)OC)/C1=N/O	39085324	RUCXHNGFLVBCSH-MOHAZFOQSA-N	203.263	1.131	0	30	BDAC	
CCCCNC(=O)NC1(C(=O)O)CCCC1	22178585	SVDKIKOREPMTCQ-UHFFFAOYSA-N	228.292	1.483	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1C(F)(F)C12CC(N)C2	2265385144	HGQQSPARBNKOJM-PRZNWYJVSA-N	248.273	1.636	0	30	BDAC	
CCN(CC)c1ccc(S(=O)(=O)O)cc1	5139465	IVZFUJYJXUATPL-UHFFFAOYSA-N	229.301	1.780	0	30	BDAC	
OC[C@H](O)CNc1cccc2ccccc12	33605731	FFDICKQFLGMKFP-LLVKDONJSA-N	217.268	1.605	0	30	BDAC	
Cc1nn(-c2ccc(C(F)(F)F)cn2)c(=O)o1	77913	NJTQOSAWCAAOCI-UHFFFAOYSA-N	245.160	1.548	0	30	BDAC	
CC(C)CNC1(C(=O)O)Cc2ccccc2C1	37965629	VNCOWWCNPGAMQX-UHFFFAOYSA-N	233.311	1.854	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@]1(C)O	200995797	LEGONGASYNNKAJ-KCJUWKMLSA-N	215.293	1.815	0	30	BDAC	
NC(=O)c1cccnc1OCC(F)(F)F	77966	KMVOIFDHPCUWSK-UHFFFAOYSA-N	220.150	1.122	0	30	BDAC	
Nc1ccc(=O)n(Cc2ccccc2)c1	19270815	UFDYREYQWRJCHY-UHFFFAOYSA-N	200.241	1.479	0	30	BDAC	
CC(=O)O[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1	34458198	KSRJRUTXLAQMEK-VHSXEESVSA-N	241.287	1.771	0	30	BDAC	
CC1(C)OC(=O)C(C(=O)C2CCCC2)C(=O)O1	95347776	MIDXSBJOWHMRQD-UHFFFAOYSA-N	240.255	1.198	0	30	BDAC	in-vitro
CCc1onc(C2CCOCC2)c1C(=O)O	69969418	XUACJGAKFOIYTB-UHFFFAOYSA-N	225.244	1.829	0	30	BDAC	
CN1CCC(NC(=O)OC(C)(C)C)CC1	39093787	IFWALANQXAWVQS-UHFFFAOYSA-N	214.309	1.605	0	30	BDAC	in-vitro
O=c1cc(O)c2cc([N+](=O)[O-])ccc2o1	146947808	XTXOVXNASJNYFW-UHFFFAOYSA-N	207.141	1.407	0	30	BDAC	
CC(C)(C)OC(=O)NCC[C@@H](N)C(F)F	238850935	DKGFQIPALNMVSE-ZCFIWIBFSA-N	224.251	1.494	0	30	BDAC	
CC(C)(C)NS(=O)(=O)C1(Cl)CCC1	725268768	WZNDTQXOXKTGQW-UHFFFAOYSA-N	225.741	1.823	0	30	BDAC	
CC(C)(C)OC(=O)NCCOC1CCNCC1	213185714	XKJYGLMZXCXBPH-UHFFFAOYSA-N	244.335	1.280	0	30	BDAC	
COC(=O)C[C@H]1CCC2(CCNCC2)OC1	393802350	SKDQEKZNBRLGCR-SNVBAGLBSA-N	227.304	1.098	0	30	BDAC	
COc1ccccc1C=C1C(=O)NC(=N)N1C	2265278784	GCCSPQAQOXMVFO-UHFFFAOYSA-N	231.255	1.032	0	30	BDAC	
O=C1CC[C@@H](O)CN1Cc1ccccc1	91361813	KZTIAEIAFIDXCI-LLVKDONJSA-N	205.257	1.170	0	30	BDAC	
O=C1CCCC[C@H]1C1=CCC[C@H](O)[C@@H]1O	2265351739	JUDSGQNXERMLQS-KPXOXKRLSA-N	210.273	1.188	0	30	BDAC	
C[C@@H]1[C@H](c2ccccc2)OC(=O)CC(=O)N1C	32155158	VWGLSJADRJXISE-NOZJJQNGSA-N	233.267	1.522	0	30	BDAC	
CN1CCCN(CCNc2ccccc2)C1	33874707	CGAIRLLOEUPOJT-UHFFFAOYSA-N	219.332	1.694	0	30	BDAC	
COP(=O)(CC(=O)c1ccco1)OC	200861383	USAIAEHYUWJEQF-UHFFFAOYSA-N	218.145	1.948	0	30	BDAC	
COc1cc2c(c(OC)c1OC)C(=O)CC2	164906	GQMRLYSXCICRFW-UHFFFAOYSA-N	222.240	1.841	0	30	BDAC	biogenic
CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@@H]21	26728775	YOILXOMTHPUMRG-GXTWGEPZSA-N	249.310	1.937	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H]1C(=O)O2	39120101	GOFMUSYMHNTSDS-SFYZADRCSA-N	227.260	1.311	0	30	BDAC	
O=S(=O)(Nc1ncco1)c1ccccc1	39121803	BRYXRHVIYJOZTE-UHFFFAOYSA-N	224.241	1.475	0	30	BDAC	
COc1ccc([C@@H]2NCCS2)cc1O	34181077	BSSCYIGDTXBNTG-SNVBAGLBSA-N	211.286	1.736	0	30	BDAC	
COC(=O)[C@@](C)(CN)c1ccccc1F	96034581	ORQNRNBAUTXYNV-NSHDSACASA-N	211.236	1.215	0	30	BDAC	in-vitro
O=C1Nc2c(F)c(F)cc(F)c2C1=O	61117838	WQLHXKSIQYHIRB-UHFFFAOYSA-N	201.103	1.239	0	30	BDAC	
C[C@@H]1C[C@@H](C)CN(C[C@H]2CCCNC2)C1	251720081	BZNDIWKLEZLXFA-UPJWGTAASA-N	210.365	1.964	0	30	BDAC	
CCNc1c(C)n(C)n(-c2ccccc2)c1=O	2018893	MVHDZXNUTMWQRW-UHFFFAOYSA-N	231.299	1.916	0	30	BDAC	
CN(Cc1ccccc1)C[C@H](O)C1CC1	68908205	ZSOUASLUWLASAV-ZDUSSCGKSA-N	205.301	1.889	0	30	BDAC	
CO[C@@H]1C[C@@H](N)CC[C@H]1NC(=O)OC(C)(C)C	306267435	HOBKKRZRCCJJSZ-IVZWLZJFSA-N	244.335	1.406	0	30	BDAC	
C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CN	229300937	CUDBAIMCAHHOKR-IUCAKERBSA-N	214.309	1.591	0	30	BDAC	
CC(C)(C)OC(=O)C1CC(C(=O)O)C1	40448906	SXGHENXTHRGIPQ-UHFFFAOYSA-N	200.234	1.439	0	30	BDAC	
O=C(OCc1ccccc1)N1C[C@@H]2C[C@@H](O)[C@H]1C2	196440455	RSMKUMJCVWVRAZ-YNEHKIRRSA-N	247.294	1.778	0	30	BDAC	
NCC[C@H]1CCC(=O)N1Cc1ccccc1	44248861	GXOXJYBZFHUQJL-GFCCVEGCSA-N	218.300	1.526	0	30	BDAC	
CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	73654548	NJBGCEIHJGURNN-UWVGGRQHSA-N	228.336	1.851	0	30	BDAC	
CNC(=O)Oc1ccccc1NC(=O)OC	1756268	KRPQXXOLTXLPES-UHFFFAOYSA-N	224.216	1.583	0	30	BDAC	
OC[C@@]1(O)CCCN(Cc2ccccc2)C1	72266732	XOFDNFCDAYQIEF-CYBMUJFWSA-N	221.300	1.006	0	30	BDAC	
CCOC(=O)[C@@H](CC(C)=O)C(=O)C1CC1	616582161	GJSJGOUQIVJTLF-VIFPVBQESA-N	212.245	1.124	0	30	BDAC	
Cc1cc(NCc2cccnc2)nc(N)n1	73355	DSSCXCDTPABWJX-UHFFFAOYSA-N	215.260	1.374	0	30	BDAC	
Cc1nccc(-n2ccc(N)n2)c1Cl	306208535	RRMXCZQPUANLBE-UHFFFAOYSA-N	208.652	1.811	0	30	BDAC	
C/C=C(\C)C(=O)OC1CCN(CC)CC1	39101478	OSPAUYCHHIIXDW-ONNFQVAWSA-N	211.305	1.980	0	30	BDAC	
O=C(O)c1nc(Cl)c2ccccc2n1	95757296	OGLKQPWFJFBTKC-UHFFFAOYSA-N	208.604	1.981	0	30	BDAC	
CCC[C@@H](c1nccn1C)S(=O)(=O)O	504685983	AOKJITQXBAPAJO-ZETCQYMHSA-N	218.278	1.149	0	30	BDAC	
CNC[C@@H]1C[C@H](F)CN1Cc1cc(C)no1	238853256	IUTYNNKAGWPTBU-UWVGGRQHSA-N	227.283	1.115	0	30	BDAC	
Cc1cc2n(n1)C[C@@H](C(F)(F)F)CN2	19408149	YUQAVILCPARHDM-LURJTMIESA-N	205.183	1.796	0	30	BDAC	
COC(=O)c1cc(O[C@@H]2CCOC2)ccc1N	113145424	HFZXDHVAYQCRJE-SECBINFHSA-N	237.255	1.223	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@]1(C2CC2)CCNC1	306541218	SHLHTQHDZRAKDF-ZDUSSCGKSA-N	240.347	1.901	0	30	BDAC	
COC(=O)C(CCC(C)(C)C)C(=O)OC	44959990	NOPWKBWBEGACGN-UHFFFAOYSA-N	216.277	1.775	0	30	BDAC	
CCCOc1ccnc(CC(=O)OCC)n1	390822201	SFVXSKSNLKAKNF-UHFFFAOYSA-N	224.260	1.371	0	30	BDAC	
O=C(O)c1ccc([C@@H](O)C(F)(F)F)cc1	39054642	XIFJNKHTLXGSPU-SSDOTTSWSA-N	220.146	1.981	0	30	BDAC	
COc1cc(O)cc2c1[C@H](C)N[C@H](C)C2	39105628	RNCDEHUVRUVRIQ-SFYZADRCSA-N	207.273	1.996	0	30	BDAC	
O=c1[nH]c(C2CC2)ncc1Br	84198858	MAZHAPKPLGJHPL-UHFFFAOYSA-N	215.050	1.410	0	30	BDAC	
COc1nc(Br)ccc1F	95763752	IYWPAMSZIXJNPR-UHFFFAOYSA-N	206.014	1.992	0	30	BDAC	
COc1cc(Cl)cc(F)c1C(N)=O	95830223	DWEVIUCEASQITK-UHFFFAOYSA-N	203.600	1.587	0	30	BDAC	
CCOC(=O)c1cnc(OC(F)(F)F)cn1	390388347	GBCNBETXSLLEHY-UHFFFAOYSA-N	236.149	1.552	0	30	BDAC	
CC1(C)C[C@H](N)CN1C(=O)c1cccnc1	259296385	VXYUJNPICIDMRO-JTQLQIEISA-N	219.288	1.033	0	30	BDAC	
CC[C@@H](C)NC[C@@H](O)c1ccc(N)cc1	34	UWYLQWLJGMLJQF-BXKDBHETSA-N	208.305	1.690	0	30	BDAC	in-man
C[C@@H](N)Cc1c[nH]c2c(O)ccc(O)c12	138146658	DIUUKYJMDPGWBV-ZCFIWIBFSA-N	206.245	1.469	0	30	BDAC	
C[C@]1(Cl)N=C(c2ccccc2)OC1=O	39140085	UXTQWXFTMHUGOQ-JTQLQIEISA-N	209.632	1.945	0	30	BDAC	
CC1(C)O[C@@H]2OC[C@H]3OC(C)(C)O[C@H]3[C@@H]2O1	34374886	PITVFGWVJISGEN-HXFLIBJXSA-N	230.260	1.014	0	30	BDAC	
CO[C@@H]1NC(C)=CC2=C1NC(=O)OC2(C)C	35570172	VGIDJMTWFJNBIH-VIFPVBQESA-N	224.260	1.238	0	30	BDAC	
CCOC(=O)CC(=O)Oc1ccccc1	82123227	IVPPDIXCKHOMLU-UHFFFAOYSA-N	208.213	1.545	0	30	BDAC	
CCOC(=O)c1cnc2cc(O)cnc2c1	95616550	BYZKHHXSNDNJDC-UHFFFAOYSA-N	218.212	1.512	0	30	BDAC	
CC(=O)NCc1nc2ccc(Cl)cc2[nH]1	261507670	KYEDLZCIBJTRRH-UHFFFAOYSA-N	223.663	1.852	0	30	BDAC	
Nc1cnc2cccc(C(F)(F)F)n12	257916004	XPJXFAHULNPHBP-UHFFFAOYSA-N	201.151	1.935	0	30	BDAC	
BrC1=NOC2(CCNCC2)C1	201823651	PTYJFKDGLGUXTC-UHFFFAOYSA-N	219.082	1.237	0	30	BDAC	
CNC(=S)NNc1ncccc1-n1cccc1	110127	KRVIWRORQRSJPZ-UHFFFAOYSA-N	247.327	1.293	0	30	BDAC	
c1ccn2c(C[C@@H]3CCCNC3)nnc2c1	54301111	SFVJAVLMNPHPFP-JTQLQIEISA-N	216.288	1.271	0	30	BDAC	
O=C(O)c1c(Br)nc2n1CCC2	212251979	KKXWEZIFEKIZOD-UHFFFAOYSA-N	231.049	1.290	0	30	BDAC	
O=C(O)c1cncc(-c2ccncc2)c1	47214437	IXKJIEJDXJCAHW-UHFFFAOYSA-N	200.197	1.842	0	30	BDAC	
N[C@@H](c1ccc(Cl)c(F)c1)c1nnn[nH]1	49808716	FDTYKSPBTLKLGK-ZETCQYMHSA-N	227.630	1.040	0	30	BDAC	in-vitro
COC(=O)Cc1ccc(C2(N)CC2)cc1	238402425	LCWRVPRHLMIUSR-UHFFFAOYSA-N	205.257	1.350	0	30	BDAC	
CCn1cc([C@@H]2OCCC[C@H]2CN)cn1	234222405	DGQICGWXCWYOPS-GXSJLCMTSA-N	209.293	1.329	0	30	BDAC	
CN(C(=O)OC(C)(C)C)C1CC(CO)C1	536954063	JGILXGQQADBQRT-UHFFFAOYSA-N	215.293	1.624	0	30	BDAC	
COc1cc(NS(=O)(=O)O)ccc1C	60257608	IFKKKVMVPOPSFE-UHFFFAOYSA-N	217.246	1.218	0	30	BDAC	
N[C@H]1CCCN(c2ccc(C(=O)O)cc2)C1	50913203	SSOUTMUMAUDYCZ-JTQLQIEISA-N	220.272	1.312	0	30	BDAC	
C[C@H](COc1ccccc1)OCCCO	6036717	HGMRWDYHWJNAQY-LLVKDONJSA-N	210.273	1.853	0	30	BDAC	
CCOc1ccc(C[C@H](O)C(=O)O)cc1	32012337	DJIPWAVUSXDBDG-JTQLQIEISA-N	210.229	1.073	0	30	BDAC	
Cc1nnnn1C(=Cc1ccccc1)C(=O)O	3886600	PTBNDKSHTBGKBT-UHFFFAOYSA-N	230.227	1.064	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]([S@@](=O)O)C1	205664835	GPAGPDICSBIXAC-ZETCQYMHSA-N	235.305	1.218	0	30	BDAC	
O=C(O)[C@H]1CS[C@@H](C=Cc2ccccc2)N1	2265235829	AVCZCIMDECJOPA-MNOVXSKESA-N	235.308	1.816	0	30	BDAC	
Nc1ccc2c(c1)oc(=O)n2CC1CC1	70264455	YYYJCGRRDMDFPQ-UHFFFAOYSA-N	204.229	1.587	0	30	BDAC	
COC(=O)CCSc1cccc(N)c1	37668205	ODZFEJLYYXIBSF-UHFFFAOYSA-N	211.286	1.924	0	30	BDAC	in-vitro
COc1nc(-c2ccccc2)cnc1N	75601887	SBRMNOIHSDNWNU-UHFFFAOYSA-N	201.229	1.734	0	30	BDAC	
Cc1cccc(N(C[C@H](C)O)C[C@H](C)O)c1	38613611	AGRSZBOCZMNJIN-RYUDHWBXSA-N	223.316	1.563	0	30	BDAC	
Fc1ccc([C@@]23CCCNC[C@@H](CO2)O3)cc1	33886236	GJLIAPBJAORBTB-STQMWFEESA-N	237.274	1.777	0	30	BDAC	
Cn1cc(Nc2ccncc2C(=O)O)cn1	88109739	OTIJHMMWENXKGZ-UHFFFAOYSA-N	218.216	1.257	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](CCO)[C@H](F)C1	222171927	RTTFSGDFPHCZMD-NXEZZACHSA-N	247.310	1.964	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H](N)c1cccnc1	98181454	MATGUCBHVPZYNG-VIFPVBQESA-N	208.261	1.423	0	30	BDAC	
FC1(F)[C@@H]2CNC[C@]2(Cl)C1(F)F	584883307	PARHJRQLCVJPPY-QWWZWVQMSA-N	203.566	1.468	0	30	BDAC	
FC(F)(F)c1csc(N2CCNCC2)n1	26898829	WKUALTYNBYXZGQ-UHFFFAOYSA-N	237.250	1.572	0	30	BDAC	
CN(Cc1ccc(F)cc1)[C@@H]1CCNC1	51783599	VHRCKJODGMIFMA-GFCCVEGCSA-N	208.280	1.619	0	30	BDAC	
C=Cc1ccc(C[C@H](N)C(=O)OC)cc1	95785635	ZIWLFUMVAQCFNE-NSHDSACASA-N	205.257	1.372	0	30	BDAC	
C[C@@H](N)c1cc(Br)n(C)n1	219950476	MUYAFZPMEBWRPA-SCSAIBSYSA-N	204.071	1.202	0	30	BDAC	
O=C(O)CCCc1ncc(Br)cn1	1536056313	QDWULLPXEWWARV-UHFFFAOYSA-N	245.076	1.646	0	30	BDAC	
CCCCNC1=CC(=O)N(CCCC)C1=O	5645954	ODNQUCUMLYBCTF-UHFFFAOYSA-N	224.304	1.429	0	30	BDAC	
CCOC(=O)C[C@]1(O)CCc2ccccc21	52248530	LBPWIBKUCBQBAV-CYBMUJFWSA-N	220.268	1.774	0	30	BDAC	in-vitro
COc1ccc(Br)cc1C(=O)CO	71559512	AAEFSLHKSBUQLK-UHFFFAOYSA-N	245.072	1.633	0	30	BDAC	
NCc1cnc(-c2ccccc2O)s1	259212431	LJEHTHVBCZHOAT-UHFFFAOYSA-N	206.270	1.974	0	30	BDAC	
COC(=O)c1cc(F)c(CN)c(F)c1	260178414	PCHCHWDGRSUXTB-UHFFFAOYSA-N	201.172	1.210	0	30	BDAC	
CCOC(CCCNC(C)=O)OCC	39264202	ANONYJUYWUFMOA-UHFFFAOYSA-N	203.282	1.302	0	30	BDAC	
CCOc1nsnc1-c1cccnc1	34493596	GJHZFNVGXYFFAU-UHFFFAOYSA-N	207.258	1.999	0	30	BDAC	
CN(C)CCOB1OC(C)(C)C(C)(C)O1	197286234	SPUZEYJHPFNBOS-UHFFFAOYSA-N	215.102	1.154	0	30	BDAC	
Nc1n[nH]c2cnc(Br)cc12	238613850	SAXJIWTWKKIZMB-UHFFFAOYSA-N	213.038	1.303	0	30	BDAC	in-vitro
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)O)O1	238804942	IJMIYSXHHOKJEZ-SFYZADRCSA-N	245.275	1.095	0	30	BDAC	
CNS(=O)(=O)[C@H](c1ccccc1)C1CC1	669376085	FCZLYNQWNDZYLC-LLVKDONJSA-N	225.313	1.687	0	30	BDAC	
COC(C[C@H](C[C@@H](C)OC)OC)OC	2013269	HESUCHCHWQCMAR-BDAKNGLRSA-N	206.282	1.435	0	30	BDAC	
NC[C@]1(CO)C[C@H](OCc2ccccc2)C1	1536220427	IIQATMQWCABXMY-JOCQHMNTSA-N	221.300	1.303	0	30	BDAC	
O=C1C[C@](O)(c2ccc(Cl)cc2)CCN1	33610897	FOZDUEGEXJAZGP-NSHDSACASA-N	225.675	1.438	0	30	BDAC	
C1=CN2N[C@H](SCc3ccccc3)N=C2N=C1	953126747	IDDVQISBQUNNDY-GFCCVEGCSA-N	244.323	1.978	0	30	BDAC	
CCOC(=O)[C@@H]1CCOc2ccccc2C1=O	34570870	LTHIQXWICUIQFY-SNVBAGLBSA-N	234.251	1.831	0	30	BDAC	
COCc1nc2ccc(Cl)nn2c1C(=O)O	21986673	LXJXNDOEIWPESF-UHFFFAOYSA-N	241.634	1.227	0	30	BDAC	
CC(C)OC(=O)N1C(=O)c2ccccc2C1=O	141320877	ZSVXIQOTVYVZRF-UHFFFAOYSA-N	233.223	1.828	0	30	BDAC	
Cc1cnc2sc(Br)nn12	54158993	VUPLUUMBCPZZME-UHFFFAOYSA-N	218.079	1.862	0	30	BDAC	in-vitro
C[Si](C)(C)CCOCn1ccnc1N	203639499	TVLFCYMBZJVHDT-UHFFFAOYSA-N	213.357	1.778	0	30	BDAC	
NNC(=S)N[C@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2	2265364080	XIOUDVJTOYVRTB-IYVZXWHCSA-N	225.361	1.293	0	30	BDAC	
Brc1ccc2c(n1)CCO2	238020172	KKGXFOZIKSONIH-UHFFFAOYSA-N	200.035	1.779	0	30	BDAC	
CC(C)(C)OC(=O)N(O)CCC(=O)O	257874997	QZYKNRZRNYAQAZ-UHFFFAOYSA-N	205.210	1.087	0	30	BDAC	
c1cncc(N2CC[C@@]3(C[C@H]4CCN3C4)C2)c1	3937377	QTFANGXLYPOILI-TZMCWYRMSA-N	229.327	1.756	0	30	BDAC	
COc1ccc([C@H](C)[C@@H](N)C(=O)O)cc1	107446879	HYOLSKLZTOUWNN-OIBJUYFYSA-N	209.245	1.211	0	30	BDAC	
O=C(O)[C@H](O)c1c(F)ccc(F)c1F	40118258	HMTUCCBYVTVVKU-SSDOTTSWSA-N	206.119	1.222	0	30	BDAC	
CC(C)(C)OC(=O)N1CC2(CC[C@@H]2CN)C1	328579547	OJWQZNMXCGURNC-SECBINFHSA-N	226.320	1.592	0	30	BDAC	
O=C(O)c1cnoc1Cc1ccccc1	34364523	PSPHDNPKCYJGGF-UHFFFAOYSA-N	203.197	1.964	0	30	BDAC	
O=C(NC[C@H]1Cc2ccccc2N1)C(F)(F)F	299805456	PCEXPODRFRXERJ-MRVPVSSYSA-N	244.216	1.702	0	30	BDAC	
C[S@@](=O)c1ccc(C2CCNCC2)cc1	44138774	WJGBOLJHUKMNLC-HNNXBMFYSA-N	223.341	1.891	0	30	BDAC	
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)O	238284172	PWBFLHITHZBGRY-XCBNKYQSSA-N	200.234	1.296	0	30	BDAC	
CC(C)(C)OC(=O)[C@H](N)Cc1ccncc1	136854281	NJVCJKBLTKHDAF-SNVBAGLBSA-N	222.288	1.293	0	30	BDAC	
COc1cc(N)c2nccc(OC)c2c1	75604384	WCWUDEWBSKPLPF-UHFFFAOYSA-N	204.229	1.834	0	30	BDAC	in-vitro
COc1cc(C(=O)O)c(Cl)cc1N	115953984	YHGWZVSXRFBPNJ-UHFFFAOYSA-N	201.609	1.629	0	30	BDAC	
COC(=O)c1cccc2cc[nH]c(=O)c12	82767322	ROENEBOLKDRRQM-UHFFFAOYSA-N	203.197	1.315	0	30	BDAC	
CCc1ccn2c(C(=O)O)c(C)nc2c1	84367464	CPLDUGAYLUPEPX-UHFFFAOYSA-N	204.229	1.903	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CN[C@@]2(CCOC2)C1	1554770679	FGTAOVRUTRYISO-SKDRFNHKSA-N	242.319	1.032	0	30	BDAC	
FC(F)(F)c1cccnc1N1CCNC1=S	66204	BXZLWAHDCIHYNG-UHFFFAOYSA-N	247.245	1.795	0	30	BDAC	
O=C(NC(=O)c1ccccc1F)NC1CC1	166844	YKJONIDUBOBSRM-UHFFFAOYSA-N	222.219	1.428	0	30	BDAC	
C[C@@H](O)[C@@H](N)c1cccc(Br)c1	41252123	PAGDUQZADLZDNJ-HZGVNTEJSA-N	230.105	1.830	0	30	BDAC	
O[C@]1(Cc2cccc(Cl)c2)CCNC1	82462359	QKUZDIBVTVITIO-NSHDSACASA-N	211.692	1.607	0	30	BDAC	in-vitro
Cc1ncsc1CN1CC[C@@H](N)[C@H](C)C1	70837085	ZGGBOVXSOJOKKA-PSASIEDQSA-N	225.361	1.621	0	30	BDAC	
N[C@H](c1ccccc1)C1(CO)CCOCC1	328579609	QYPXKTOTFOLRID-GFCCVEGCSA-N	221.300	1.476	0	30	BDAC	
CC(C)(C)OC(=O)N1CCN[C@H](CC2CC2)C1	715402725	MNQCATPHOOGACT-LLVKDONJSA-N	240.347	1.995	0	30	BDAC	
COCCOCn1cc(Br)cn1	393325551	ZUCXPLLVLNYIJP-UHFFFAOYSA-N	235.081	1.266	0	30	BDAC	
COc1cccc(C(=O)CCN(C)C)c1OC	33894627	BCKCFHDZRUTABC-UHFFFAOYSA-N	237.299	1.838	0	30	BDAC	
O=C(O)[C@@H]1CCc2ncc(Br)n2C1	211420959	GKNACKNJTCCODY-RXMQYKEDSA-N	245.076	1.293	0	30	BDAC	
CCC(CC)[C@]1(C)C(=O)NC(=O)N(C)C1=O	1844330	UOYFVXJIGHQGPI-LLVKDONJSA-N	226.276	1.137	0	30	BDAC	
Nc1c(Cl)cc([C@H](O)C(=O)O)cc1Cl	2021841	PUYRPBRWUYJNTM-ZETCQYMHSA-N	236.054	1.694	0	30	BDAC	
COc1ccc(C2=CC=C[C@H](O)[C@@H]2O)cc1	45805438	GBRSZJBWJYMFPS-QWHCGFSZSA-N	218.252	1.370	0	30	BDAC	
CC(C)(C)OC(=O)NCCC1CC(O)C1	306655684	KTEWHLLTEGUAAD-UHFFFAOYSA-N	215.293	1.672	0	30	BDAC	
COC(=O)[C@H](C)CS(=O)(=O)c1ccccc1	35757104	PNNZEINSFNGHTH-SECBINFHSA-N	242.296	1.269	0	30	BDAC	
O=C1CCC[C@H](C(F)(F)C(F)(F)F)N1	217654490	PBYATCXDVFLTMN-SCSAIBSYSA-N	217.137	1.853	0	30	BDAC	
CNCc1ccc(N2CCOCC2)s1	12370492	LTBKEKXCWIEXPM-UHFFFAOYSA-N	212.318	1.304	0	30	BDAC	in-vitro
COc1nc(I)cs1	307524964	GVPPOSXLMUIGSW-UHFFFAOYSA-N	241.053	1.756	0	30	BDAC	
COc1c(OC(C)=O)ccc2c(O)ncnc12	504582951	OAMUMMWLDQCGBN-UHFFFAOYSA-N	234.211	1.269	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](O)C2	114013395	WKKIHGBRNBOCMB-CIUDSAMLSA-N	213.277	1.519	0	30	BDAC	
O=c1cc(O)sc(-c2ccccc2)n1	101110617	BMKLOJBWXMRWRE-UHFFFAOYSA-N	205.238	1.876	0	30	BDAC	
O=C1NCCN[C@@H]1c1cccc(C2CC2)c1	87013345	OTMXRFSCWGNHGE-GFCCVEGCSA-N	216.284	1.325	0	30	BDAC	
COC(=O)c1cc(Cl)c(C(=O)O)cc1OC	39373585	OLMQISLUSGXVHK-UHFFFAOYSA-N	244.630	1.833	0	30	BDAC	
OC[C@@]1(Cc2ccccc2)CCCCN1	238698576	RLENHBASZWTSRF-ZDUSSCGKSA-N	205.301	1.734	0	30	BDAC	
CCOC(=O)C1(N[Si](C)(C)C)CC1	196208852	GUCLXEJJBTWWHO-UHFFFAOYSA-N	201.342	1.507	0	30	BDAC	
Cn1cnc(-c2ncc(Cl)cc2N)c1	306670186	CFHDYTJRTPUHOF-UHFFFAOYSA-N	208.652	1.718	0	30	BDAC	
CCOC(=O)N1CC[C@H](N)C12CCCCC2	39473106	GCEHKYDEOVWBRJ-JTQLQIEISA-N	226.320	1.879	0	30	BDAC	
CNc1ncc(Br)c(NC)n1	87807344	WTTVCXVCCVKIEO-UHFFFAOYSA-N	217.070	1.323	0	30	BDAC	
c1cc2c(cc1OC[C@@H]1CCOC1)CCNC2	257925478	GRAGSIQJYQHDFD-LLVKDONJSA-N	233.311	1.748	0	30	BDAC	
O=C(N[C@@H]1C[C@H]1O)OCc1ccccc1	142383271	SBIIQLWBTBQKRD-NXEZZACHSA-N	207.229	1.046	0	30	BDAC	
CCCC[C@]1(O)C(=O)c2ccccc2N(C)C1=O	3958078	QWZGZYRXESDJLX-AWEZNQCLSA-N	247.294	1.767	0	30	BDAC	
CC1(C)CN[C@@H]1c1nccn1CC1CC1	536948709	FVOXWCLJSGPPHK-SNVBAGLBSA-N	205.305	1.964	0	30	BDAC	
CCN[C@@H]1CS(=O)(=O)c2ccccc21	35687817	LTMBFZGPQJDUIM-SECBINFHSA-N	211.286	1.125	0	30	BDAC	
Cc1c(N)nnn1Cc1ccccc1F	86491987	KTOGRWKYQKNVCB-UHFFFAOYSA-N	206.224	1.356	0	30	BDAC	
COC(=O)c1c(Cl)ccc2cncn12	238324572	JCKOVNAGISCXDZ-UHFFFAOYSA-N	210.620	1.774	0	30	BDAC	
CC[C@H](C)[C@H](NC)[C@@H](CC(=O)O)OC	142739897	GHCBYDBRCQYPPL-XKSSXDPKSA-N	203.282	1.110	0	30	BDAC	in-vitro
COC(=O)[C@H](N)C[C@@H]1CCCc2ccccc21	69553452	FMDYADPUIXUSMM-WCQYABFASA-N	233.311	1.997	0	30	BDAC	in-vitro
O=C(OCc1ccccc1)N1CC([N+](=O)[O-])C1	200888307	WTDXAMNVYGFSMA-UHFFFAOYSA-N	236.227	1.284	0	30	BDAC	
CC1(c2nnc(-c3cccc(F)c3)o2)CNC1	536948773	UMNHNPIDUDPLJR-UHFFFAOYSA-N	233.246	1.737	0	30	BDAC	
CC(C)CNS(=O)(=O)c1ccc(CN)cc1	11849263	NXSHEUKMRPTCLI-UHFFFAOYSA-N	242.344	1.080	0	30	BDAC	
Cc1sc(Br)nc1CN	95930294	COIDBZFWKYGOML-UHFFFAOYSA-N	207.096	1.673	0	30	BDAC	
COC(=O)C[C@H](N)COCc1ccccc1	90513940	ADCAWILRZRUZIT-NSHDSACASA-N	223.272	1.094	0	30	BDAC	
CC(=O)C(Sc1ccccn1)C(C)=O	141561872	XPLMQBAWWHRDNP-UHFFFAOYSA-N	209.270	1.720	0	30	BDAC	
COC(=O)c1nc(Cl)nc(Cl)c1C	95933522	CFGVNASOOGRARC-UHFFFAOYSA-N	221.043	1.878	0	30	BDAC	
O=C(O)c1ccc(NC[C@@H]2CCCO2)nc1	19845283	XWRZUKSTUINUGP-VIFPVBQESA-N	222.244	1.371	0	30	BDAC	
N[C@@H](c1ccccc1)[C@@H](O)C(F)(F)F	20281452	GFSZBXASMXIZSV-JGVFFNPUSA-N	205.179	1.610	0	30	BDAC	in-vitro
CC(C)C[C@H]1NC(=O)[C@H](CC(C)C)C1=O	100133616	LHRNYUFQFHMAMM-NXEZZACHSA-N	211.305	1.762	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CNC[C@H]1C2	97758732	QRRODJVINUPBBD-OPRDCNLKSA-N	226.320	1.509	0	30	BDAC	
N#Cc1ccc(F)cc1N1CCNCC1	147501119	HRKXLUIPHRYJPZ-UHFFFAOYSA-N	205.236	1.107	0	30	BDAC	
COCCOc1cccc(F)c1[C@@H](C)O	71372293	FOMYCDKDGUYSTJ-MRVPVSSYSA-N	214.236	1.904	0	30	BDAC	in-vitro
CC[C@@H](N)[C@H](c1ccc(C)cc1)n1cncn1	42915822	JPFGKUSWXVKIDE-OLZOCXBDSA-N	230.315	1.913	0	30	BDAC	in-vitro
COc1cc(-c2cnn(C)c2)ccc1N	203792105	OEADKUBRUQQSJI-UHFFFAOYSA-N	203.245	1.678	0	30	BDAC	
COC(=O)C12C[C@@H]3CC(C[C@H](C3)C1)[C@H]2N	514265032	BMCTUOOXHFSRDB-UFKIKTHBSA-N	209.289	1.313	0	30	BDAC	
CCOC(=O)[C@H](N)Cc1ccc2cnccc2c1	33784803	SUGUOSMFHUCJNE-CYBMUJFWSA-N	244.294	1.668	0	30	BDAC	
CCOC(=O)[C@@H]1CCC(=O)C[C@H]1C(F)F	725271409	MLAGCGJBGXPTOS-HTQZYQBOSA-N	220.215	1.800	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2[C@H](C(=O)O)[C@@H]21	669378823	OAWYKFJBXIBPCC-KZVJFYERSA-N	241.287	1.620	0	30	BDAC	
COC(=O)C[C@@H]1CCN1C(=O)OC(C)(C)C	203813982	JZUYTENKZRHCGQ-QMMMGPOBSA-N	229.276	1.559	0	30	BDAC	
CN1CCn2ncc(Br)c2C1	213085153	WIFYRCPNPBWODK-UHFFFAOYSA-N	216.082	1.091	0	30	BDAC	
CNCc1ccc(-c2nc(C)no2)cc1	12370450	MUCOLQGVWQXQMX-UHFFFAOYSA-N	203.245	1.764	0	30	BDAC	in-vitro
Cc1cc2c(N3CCNCC3)ncnc2s1	19951892	NUAYYCIHEUYVIF-UHFFFAOYSA-N	234.328	1.409	0	30	BDAC	in-vitro
CC(=O)c1ccc2c(c1)[C@H](N)[C@@H](O)C(C)(C)O2	22006587	AECGYOKFJFSDKI-NWDGAFQWSA-N	235.283	1.421	0	30	BDAC	
CCOC(=O)C(=O)CCc1cccnc1	15041918	TXBHGLISFZHHTK-UHFFFAOYSA-N	207.229	1.146	0	30	BDAC	
C[C@H](Oc1ccc(Cl)cc1CO)C(=O)O	43629811	PQIATGPQELCUPX-LURJTMIESA-N	230.647	1.684	0	30	BDAC	
O=C(Nc1ccncc1)[C@H]1CCCNC1	19411692	ZZQKMYDXRPEVPQ-VIFPVBQESA-N	205.261	1.020	0	30	BDAC	
NCC(=O)N[C@@H]1CCCc2ccccc21	35179189	VWRYNRSSLOECQK-LLVKDONJSA-N	204.273	1.139	0	30	BDAC	
CCCN(C)C(=O)NC[C@@H](CC(C)C)C(=O)O	94705063	XEWZDDPIBLYWOG-SNVBAGLBSA-N	244.335	1.785	0	30	BDAC	
Cc1nc(N)sc1CCSC(=N)N	39109762	UYCJLCWEJVRXLM-UHFFFAOYSA-N	216.335	1.203	0	30	BDAC	
C[C@@]1(c2cccs2)OC[C@H](CO)O1	2037906	HOANEJPRHBZMAR-IONNQARKSA-N	200.259	1.329	0	30	BDAC	
O=CNc1cccc(Br)n1	84889117	VSPAEIUHNLMTQO-UHFFFAOYSA-N	201.023	1.412	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H]2OCCC[C@@H]21	238179776	YGPOVGXTDBUOGY-IVZWLZJFSA-N	243.303	1.146	0	30	BDAC	
CC(C)(c1nc(C(=O)O)no1)C(F)F	698407193	QMMODRCALMXPQE-UHFFFAOYSA-N	206.148	1.311	0	30	BDAC	
CN(Cc1ccccc1)C(=O)C=CC(=O)O	12504697	LFWYJFPYELUEKZ-UHFFFAOYSA-N	219.240	1.286	0	30	BDAC	
O=C(O)Cc1ccc(C(=O)C2CC2)cc1	3649963	XPPGZJCRWVAUBW-UHFFFAOYSA-N	204.225	1.906	0	30	BDAC	
CC(C)(C)OC(=O)NOC(C)(C)CO	39093325	ZOGLEOIAQNHQHA-UHFFFAOYSA-N	205.254	1.214	0	30	BDAC	in-vitro
CC[C@@H](CCCC(=O)OC)C(=O)OC	39603728	MMZVDLQEASJIKQ-QMMMGPOBSA-N	202.250	1.529	0	30	BDAC	
Cc1c(CC(=O)O)nc(Br)n1C	2265385611	QSIDEDKXOAMMNC-UHFFFAOYSA-N	233.065	1.118	0	30	BDAC	
O=C(O)c1cc(COc2ccccc2)on1	24547725	SQQNUTPYPNFZLM-UHFFFAOYSA-N	219.196	1.952	0	30	BDAC	
CC1(C)OC[C@H]([C@@H](O)Cc2ccccc2)O1	4293828	FFKVHXYMWXJVNT-NWDGAFQWSA-N	222.284	1.742	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@H]1C1=NCCN1	224602302	FGCYEDNAVRTJTQ-SECBINFHSA-N	239.319	1.388	0	30	BDAC	
C[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	148704498	YISREGIVFNMYSB-RKDXNWHRSA-N	231.292	1.003	0	30	BDAC	
CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1[C@H](O)C2	306963386	LJZKCLOQMYZAGC-LPEHRKFASA-N	227.304	1.909	0	30	BDAC	
COc1ccc2oc(=O)c(C)c(O)c2c1	22003495	UARPRSOABLQBSS-UHFFFAOYSA-N	206.197	1.816	0	30	BDAC	
CN[C@@H](CSc1ccccc1)C(=O)O	2539635	LTBUKAZTCAKADZ-VIFPVBQESA-N	211.286	1.451	0	30	BDAC	
CCSc1ccc2c(c1)NC(=O)C2=O	36193358	FGVIVDHQEMLTBB-UHFFFAOYSA-N	207.254	1.933	0	30	BDAC	in-vitro
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC	4344319	MPLDLMYNRCYIIL-BDAKNGLRSA-N	244.335	1.672	0	30	BDAC	
O=C(O)C1CCN(c2nc3ccccc3[nH]2)CC1	39981790	FAJDHKFENWYQBM-UHFFFAOYSA-N	245.282	1.864	0	30	BDAC	
CCOC1=NO[C@](O)(C(Cl)(Cl)Cl)C1	38845750	VQUGUNHKTRLROF-YFKPBYRVSA-N	248.493	1.816	0	30	BDAC	
O=c1ccc2cc(S(=O)(=O)O)ccc2o1	38612009	SXOYTVCGDVNJOF-UHFFFAOYSA-N	226.209	1.040	0	30	BDAC	
Cc1ccc(CNC(=S)NN(C)C)cc1	69482	XUVMRRUKYZEQLW-UHFFFAOYSA-N	223.345	1.436	0	30	BDAC	
Cc1cc(F)cc2c1N1[C@H](CNC[C@H]1C)C2	95922434	JCXPVDATAVDKTJ-SKDRFNHKSA-N	220.291	1.857	0	30	BDAC	
O=C1CCSC[C@@H]1C(=O)C(F)(F)F	100111823	KZFIQOLOLYNACD-BYPYZUCNSA-N	212.192	1.440	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]([S@@](=O)O)C1	205664849	GPAGPDICSBIXAC-SSDOTTSWSA-N	235.305	1.218	0	30	BDAC	
C/N=c1\ccccc2c(CCN)c(C)[nH]c12	380456450	LDAUBDWSWAEVFU-NTCAYCPXSA-N	215.300	1.508	0	30	BDAC	
CC1(C)Oc2ccc(C[C@H](N)C(=O)O)cc2O1	140553543	PFPPGLZXDDFWGF-QMMMGPOBSA-N	237.255	1.148	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(c2cc[nH]n2)C1	1535640407	FFOIZWJYSRDQED-UHFFFAOYSA-N	223.276	1.744	0	30	BDAC	
COC(=O)[C@@H](O)c1ccc(F)c(F)c1	50974358	FSNBVAIULMGGMB-QMMMGPOBSA-N	202.156	1.171	0	30	BDAC	
N=C(N)NC(=N)Nc1cccc2ccc(O)cc12	35052462	HOGDMMZTOLIYGR-UHFFFAOYSA-N	243.270	1.375	0	30	BDAC	
CCOC(=O)C1(C(=O)C(F)(F)F)CC1	75890265	NLFWKFUVOWJRHE-UHFFFAOYSA-N	210.151	1.461	0	30	BDAC	
C[C@H](CCCN)NC(=O)OC(C)(C)C	39091370	VGFSVDUGQNCSSD-MRVPVSSYSA-N	202.298	1.639	0	30	BDAC	
COC(=O)[C@@H]1Cc2c(Cl)cccc2CN1	82786226	ZJIFMIBVOWFPPG-JTQLQIEISA-N	225.675	1.527	0	30	BDAC	
CCOC(=O)c1cc(=O)[nH]c2ccc(F)cc12	231473841	GYNIMVCBWNMHPJ-UHFFFAOYSA-N	235.214	1.844	0	30	BDAC	
CC[C@H](CC(=O)OC)NC(=O)OC(C)(C)C	36532531	OWCUZDDUVCLVIV-MRVPVSSYSA-N	231.292	1.853	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)[C@@H]1CCNCC1(F)F	328579348	BXYCDALKPLQNNI-ZETCQYMHSA-N	221.247	1.573	0	30	BDAC	
COc1ccc(-c2cc(=O)n(C)[nH]2)cc1	138781874	PJTMFHVAWXJKCF-UHFFFAOYSA-N	204.229	1.389	0	30	BDAC	
CCOc1ccccc1NC(=S)NCCO	3180662	IIPMXPXHZYFQIG-UHFFFAOYSA-N	240.328	1.364	0	30	BDAC	
c1ccc(CN2CCCC3(CNC3)C2)cc1	38530193	AMJUPHWNJCTBKN-UHFFFAOYSA-N	216.328	1.872	0	30	BDAC	
CCOC(=O)C[C@@]1(O)CCOc2ccccc21	52248423	RJWYKHRMSHACIR-ZDUSSCGKSA-N	236.267	1.610	0	30	BDAC	
CCOC(=O)[C@]1(F)CNCC12CCC2	307526033	CFUAUBPRUGNJAA-SNVBAGLBSA-N	201.241	1.031	0	30	BDAC	
CCO[C@H]1OCC=C[C@H]1CC(=O)OC	39099005	PXXOLMXXSZUEIL-WPRPVWTQSA-N	200.234	1.115	0	30	BDAC	
C/C(=C\CNC(=O)OC(C)(C)C)C(=O)O	210202116	ISUPVRCFBGKBBI-FNORWQNLSA-N	215.249	1.542	0	30	BDAC	
COc1ccc([C@H](C)N)c(OC)c1OC	3705650	PKLNPKXFQTWPOI-ZETCQYMHSA-N	211.261	1.732	0	30	BDAC	
CCN1C[C@@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2	100262757	LRDWBDXBFHPTGD-SDDRHHMPSA-N	222.332	1.339	0	30	BDAC	
C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1	34445407	JEAHPTUMWGWDOJ-MRVPVSSYSA-N	245.248	1.899	0	30	BDAC	
NS(=O)(=O)c1cc(Br)cs1	71551224	MZQCSQKZJCIDSA-UHFFFAOYSA-N	242.119	1.158	0	30	BDAC	
O[C@@H]1CCCC[C@]1(O)CN1CCCCC1	39097474	WBGFREFXVACCFU-NEPJUHHUSA-N	213.321	1.138	0	30	BDAC	
CCc1nn(C)c(CC(=O)O)c1Br	84281199	BRVSCMTYAJAWAR-UHFFFAOYSA-N	247.092	1.372	0	30	BDAC	
Oc1ccc([C@H](O)[C@H](O)c2ccc(O)cc2)cc1	6093196	GRCDZLQANHNACB-OKILXGFUSA-N	246.262	1.865	0	30	BDAC	
COC(=O)c1cncc(-c2ccnnc2)c1	91351997	XDFMOHIAMCBYHR-UHFFFAOYSA-N	215.212	1.325	0	30	BDAC	
COC(=O)[C@@H]1C[C@H](CN)c2ccccc21	38363666	VLYNBHYMQUZEDV-LDYMZIIASA-N	205.257	1.389	0	30	BDAC	
Cc1cc(F)ccc1N1CCC[C@H](N)C1=O	68575110	WAGKQOPBNXIWDM-JTQLQIEISA-N	222.263	1.588	0	30	BDAC	
Clc1cnc(N2CCNCC2)s1	26898635	JRDCPSSRKBQDQW-UHFFFAOYSA-N	203.698	1.206	0	30	BDAC	
NCCCCCNOCc1ccccc1	38271798	WLGYQCPSHWDABN-UHFFFAOYSA-N	208.305	1.837	0	30	BDAC	
CC(C)(C)c1nsc(N)c1C(=O)O	675076844	SIQRVOAVXHNONS-UHFFFAOYSA-N	200.263	1.721	0	30	BDAC	
CN(C)c1nc(Br)ns1	238319218	VQKUOYFCOBJJOW-UHFFFAOYSA-N	208.084	1.367	0	30	BDAC	
Cn1c(Br)nc2cnccc21	107213913	QWKFODNPTVNNLP-UHFFFAOYSA-N	212.050	1.731	0	30	BDAC	
CN1CCC=C2c3ccccc3[C@@H](O)[C@H]21	5699296	YSVNTYMQDHASPW-QWHCGFSZSA-N	201.269	1.821	0	30	BDAC	
CC[C@H]1C(=O)NC(=O)N(C2=CCCCC2)C1=O	111902712	LJCNUGBNIVRARQ-VIFPVBQESA-N	236.271	1.549	0	30	BDAC	
CCOC(=O)CC1CCC(C(=O)O)CC1	108240327	MHKFPZVBEMBDHC-UHFFFAOYSA-N	214.261	1.831	0	30	BDAC	
COc1nc(C(F)(F)F)ccc1CN	84198685	PPGYPFSRFLIJHQ-UHFFFAOYSA-N	206.167	1.568	0	30	BDAC	
CC(C)Cc1ccc(S(N)(=O)=O)cc1	13950188	RMVGDCROLOGLIE-UHFFFAOYSA-N	213.302	1.533	0	30	BDAC	in-vitro
OC[C@H](O)c1ccc(C(F)(F)F)cc1	34583498	AJPLWVXTACBUHY-QMMMGPOBSA-N	206.163	1.731	0	30	BDAC	in-vitro
Nc1ccc(F)c(N2CCCNC2=O)c1	43323172	BKOFAVGWOWQDAH-UHFFFAOYSA-N	209.224	1.328	0	30	BDAC	
C[C@H]1CNC[C@H]1CNC(=O)OC(C)(C)C	39093819	CEFJWUXTHLISAP-IUCAKERBSA-N	214.309	1.367	0	30	BDAC	
O=C(O)c1cncc(-c2ccnnc2)c1	91366310	HDGGEPTYPLDYGS-UHFFFAOYSA-N	201.185	1.237	0	30	BDAC	
CCS(=O)(=O)c1ccc(CN)s1	98210133	UPCPELJCHDYGCD-UHFFFAOYSA-N	205.304	1.000	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CN)C[C@H]21	258168390	IDABRLUXZQGROL-OPRDCNLKSA-N	226.320	1.591	0	30	BDAC	
O=c1[nH]c2c(nc1Br)CCCC2	222430313	PWTOWLSCRXUWQA-UHFFFAOYSA-N	229.077	1.411	0	30	BDAC	
O=C(NC1CCOCC1)c1ccc(Cl)cn1	265441042	ALBZVPZOBOQKTJ-UHFFFAOYSA-N	240.690	1.644	0	30	BDAC	
O=C(CCC1OCCO1)c1cccnc1	22065538	KRCNRDPXOZLDCE-UHFFFAOYSA-N	207.229	1.417	0	30	BDAC	in-vitro
CN(C)C=C(C#N)C(=O)Nc1ccccc1	6711624	DKQRAHUZMNXWFV-UHFFFAOYSA-N	215.256	1.594	0	30	BDAC	
Cc1cc(-n2cnc(-c3c[nH]nc3C)n2)no1	13125189	PKXLJWIHUFTFKL-UHFFFAOYSA-N	230.231	1.262	0	30	BDAC	
C[C@@H]1CCCN(c2ccc3nncn3n2)C1	80379	FVKKJGJZNUEFAD-SECBINFHSA-N	217.276	1.361	0	30	BDAC	
CCOC(=O)[C@@]1(F)CNCC12CCC2	307526030	CFUAUBPRUGNJAA-JTQLQIEISA-N	201.241	1.031	0	30	BDAC	
O=C1CC(=O)N(c2ccc(F)cc2F)C1	86475436	QUWROAHWOLRTGC-UHFFFAOYSA-N	211.167	1.271	0	30	BDAC	
CC(=O)c1nc(C)n(-c2ccccc2)n1	51951742	CFEJCYQQBWLPQI-UHFFFAOYSA-N	201.229	1.778	0	30	BDAC	
NS(=O)(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	82863176	LFDIWWQXKBCPHA-RITPCOANSA-N	231.239	1.396	0	30	BDAC	
CCS(=O)(=O)c1cc(F)ccc1N	52123521	AEEDBFJQZFTLCQ-UHFFFAOYSA-N	203.238	1.202	0	30	BDAC	in-vitro
COC(=O)C1=Cc2c(Cl)cncc2C1	95775280	JCUZJSRYPQAPTN-UHFFFAOYSA-N	209.632	1.848	0	30	BDAC	
CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)C1=O	100133612	LHRNYUFQFHMAMM-UWVGGRQHSA-N	211.305	1.762	0	30	BDAC	
CNc1cc(C(=O)O)cc(C(=O)OC)c1	201970857	MSNJSRYQHISTFU-UHFFFAOYSA-N	209.201	1.213	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@H]1CCCO1	228399726	KUUAEAFMDBFLMY-HTQZYQBOSA-N	245.275	1.143	0	30	BDAC	
Cc1ccc(C(=O)NCC(=O)O)c(C)c1	2509467	PODYKKYFYIONLT-UHFFFAOYSA-N	207.229	1.118	0	30	BDAC	
CNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	3010502	AAZMHUWBYVBUKN-VIFPVBQESA-N	244.335	1.672	0	30	BDAC	
COC(=O)c1cccn(C(F)F)c1=O	307402391	BWHSXEUGFOQSLY-UHFFFAOYSA-N	203.144	1.030	0	30	BDAC	
Oc1cccc(N2CCC[C@H]2O)c1Cl	144427792	PCSFDTDZWYTDAH-SECBINFHSA-N	213.664	1.964	0	30	BDAC	
c1cc2n(c1)CCCNC21CCOCC1	389679909	DMVCUWXZQWRDPU-UHFFFAOYSA-N	206.289	1.487	0	30	BDAC	
COC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1C21CC1	710030454	DOCTYGRGGTZHAB-BGZDPUMWSA-N	222.240	1.072	0	30	BDAC	
CC(C)(C(=O)O)n1cc(-c2cccs2)nn1	725343432	IVQHGUOSDPUBJE-UHFFFAOYSA-N	237.284	1.826	0	30	BDAC	
CCOC(=O)[C@@H]1CNC[C@@]1(C)C(F)F	698803239	JDLGFEFWVGZJCM-IMTBSYHQSA-N	207.220	1.040	0	30	BDAC	
COC(=O)c1noc(C)c1-c1cc[nH]n1	122791	KNAZACRLMFMBHN-UHFFFAOYSA-N	207.189	1.160	0	30	BDAC	
CC(=O)NCc1c(N(C)C)cccc1N(C)C	141094	XBUNZVYXGINTSL-UHFFFAOYSA-N	235.331	1.455	0	30	BDAC	
C[C@@H](CC(=O)NCCN(C)C)c1ccccc1	2000810	KOPLYSURUCFZLM-LBPRGKRZSA-N	234.343	1.858	0	30	BDAC	
Cc1nn(-c2ccccc2)c2[nH]nc(N)c12	21948994	YSESFSCQQXVDLF-UHFFFAOYSA-N	213.244	1.639	0	30	BDAC	
Nc1cc(C(=O)O)c(O)c2ccccc12	32158116	FGVNXCHIPUMQON-UHFFFAOYSA-N	203.197	1.826	0	30	BDAC	in-vitro
COC(=O)C(CC1=CCCCC1)C(=O)OC	142552510	DIZOZJWUERIXQP-UHFFFAOYSA-N	226.272	1.839	0	30	BDAC	
CO[C@H]1CCN2[C@@H]3C=CC4=CC(=O)O[C@@]4(C3)[C@H]2C1	110346481	YKLWRYOORWTCQQ-GFQSEFKGSA-N	247.294	1.030	0	30	BDAC	
O=C(O)c1ccc(Nn2ccnc2)cc1	39085221	QJNUMRRZLAHOJJ-UHFFFAOYSA-N	203.201	1.457	0	30	BDAC	
OCC[C@@H]1CC1(Br)Br	196478065	MBATZDRKFBSYHJ-SCSAIBSYSA-N	243.926	1.875	0	30	BDAC	
O=C(N1CC2(CCCOC2)C1)C(F)(F)F	377171755	LDFYJYTVJADQHO-UHFFFAOYSA-N	223.194	1.188	0	30	BDAC	
C[C@H]1COCCN1c1ccc(N)cc1F	35774369	YWUOALIUFIAHFE-QMMMGPOBSA-N	210.252	1.633	0	30	BDAC	
NC(=O)Cc1ncc(C(F)(F)F)cc1F	2265356069	IMNPETIXBBIWDK-UHFFFAOYSA-N	222.141	1.267	0	30	BDAC	
Cc1cc(N2C(=O)CC(C)(C)CC2=O)n(C)n1	4325015	JGZLLPPWCWMTEI-UHFFFAOYSA-N	235.287	1.408	0	30	BDAC	
CC(=O)NCC(=O)c1c[nH]c2ccccc12	3101797	QYDMJTFKQVPEHJ-UHFFFAOYSA-N	216.240	1.487	0	30	BDAC	biogenic
NS(=O)(=O)c1cc2c(Cl)nccc2o1	34284892	WMQKQTQXYVJGDS-UHFFFAOYSA-N	232.648	1.129	0	30	BDAC	
Clc1cc(Cl)nc(N2CCNCC2)n1	44116766	BNMHSJKRWZNYTF-UHFFFAOYSA-N	233.102	1.193	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CNC[C@H]21	697897244	AAGNVQRRGGYPFE-LPEHRKFASA-N	226.320	1.367	0	30	BDAC	
O=Cc1ccccc1N1CCC[C@H](O)C1	42468901	LJAQOYZUHIEEHH-NSHDSACASA-N	205.257	1.460	0	30	BDAC	in-vitro
CC(C)NC(=O)CNc1ccc2c(c1)CCCO2	198712978	JTBNQFXKDXZVKI-UHFFFAOYSA-N	248.326	1.948	0	30	BDAC	
CCC(=O)N[C@@H](C(=O)O)C(C)(C)SN=O	22065342	XRIWLEWQNCECEP-LURJTMIESA-N	234.277	1.159	0	30	BDAC	in-vitro
CC(=O)N1C[C@@]2(C[C@@H]3O[C@@H]3C2)[C@@H]1C(C)C	669371679	PPDQDCUQEYLFEM-USZNOCQGSA-N	209.289	1.421	0	30	BDAC	
CCc1ccc2c(c1)NC(=O)C21OCCCO1	15042412	JFHBHPGGRWYNSP-UHFFFAOYSA-N	233.267	1.791	0	30	BDAC	
C[C@@H]1NC[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]12	100099571	HOWBTXXCVBFYGD-JBDRJPRFSA-N	212.293	1.117	0	30	BDAC	
CO[C@H](O)[C@@](C)(F)C(=O)c1ccccc1	39055553	YHOZXUMZFSCQBD-QWRGUYRKSA-N	212.220	1.562	0	30	BDAC	
Cn1cnc(Cl)c(Br)c1=O	34450358	XMHSPMGZLBXATO-UHFFFAOYSA-N	223.457	1.196	0	30	BDAC	
O=C1CCCCC[C@H]1CN1CCC[C@H]1CO	227073783	HOETYDLHHVSXHM-RYUDHWBXSA-N	225.332	1.593	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H](CCO)[C@@H](F)C1	222172093	RTTFSGDFPHCZMD-UWVGGRQHSA-N	247.310	1.964	0	30	BDAC	
CCOC(=O)c1nc2ncccc2s1	238299293	PSWYGYJZKXUYBS-UHFFFAOYSA-N	208.242	1.868	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@H]1CN	258224827	LYNFEJDBRSBOFH-LPEHRKFASA-N	226.320	1.591	0	30	BDAC	
COC(=O)CN[C@@H](C)c1ccc(OC)cc1	19885437	BOFJJKVVOMQGIQ-VIFPVBQESA-N	223.272	1.519	0	30	BDAC	
CC(=O)N1C(=O)NC(=O)[C@]12CCCC[C@@H]2C	6037538	IAEOUKDLBPACNG-WRWORJQWSA-N	224.260	1.034	0	30	BDAC	
O=C1NCCC[C@H]1Cc1ccc(Cl)nc1	133757792	ATMGKXWMMYHZCK-VIFPVBQESA-N	224.691	1.804	0	30	BDAC	
CNC(=O)CNCc1cc2ccccc2o1	37207429	KDZIYIJQWBRIKZ-UHFFFAOYSA-N	218.256	1.268	0	30	BDAC	
COC(=O)c1cc(OC)c(OC)c(OC)c1F	15042071	SCEGOFUSTRWVLL-UHFFFAOYSA-N	244.218	1.638	0	30	BDAC	
Nc1nc(Br)c2cc[nH]c2n1	40448450	LNHBUZIEWGLSMI-UHFFFAOYSA-N	213.038	1.303	0	30	BDAC	
COc1ncnc(Br)c1Cl	1536219812	HPYMSKUTNYCIML-UHFFFAOYSA-N	223.457	1.901	0	30	BDAC	
COc1ccc2cc(C(=O)O)c(C(=O)O)nc2c1	32099641	KDUYKRJAIPVUFN-UHFFFAOYSA-N	247.206	1.640	0	30	BDAC	
CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(CO)C1	536948261	BPQDFEAZIMHEIB-BXKDBHETSA-N	245.319	1.393	0	30	BDAC	
C=Cc1ccc(C[C@@H](N)C(=O)OC)cc1	95785377	ZIWLFUMVAQCFNE-LLVKDONJSA-N	205.257	1.372	0	30	BDAC	
CCOC(=O)[C@H](N)CC1CC(F)(F)C1	383400604	RZKDREAOPBUPHK-SSDOTTSWSA-N	207.220	1.312	0	30	BDAC	
O=Cc1cn2c(Br)cnc2s1	714253280	CNAQOMKJCAMOHC-UHFFFAOYSA-N	231.074	1.971	0	30	BDAC	
CC1(C)OC[C@H]([C@H](O)Cc2ccccc2)O1	2583521	FFKVHXYMWXJVNT-VXGBXAGGSA-N	222.284	1.742	0	30	BDAC	
Nc1ncnc2nn(Cc3ccccc3)cc12	13671352	VNPCSZJVKNFJEB-UHFFFAOYSA-N	225.255	1.457	0	30	BDAC	
O=C(c1cc2occc2s1)N1CCNCC1	70038115	DJWYDMDVTYPGJJ-UHFFFAOYSA-N	236.296	1.540	0	30	BDAC	in-vitro
NC(=O)c1cnc2c(Cl)cccc2c1	62864128	OQYUJZSTQRSMLI-UHFFFAOYSA-N	206.632	1.987	0	30	BDAC	
O=C(O)Cc1cc(Br)cnc1F	238678570	OTNSOVSKPQNLEZ-UHFFFAOYSA-N	234.024	1.610	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](N)C12CCC2	390822213	VDLQWFAVDYRRGW-DTWKUNHWSA-N	226.320	1.781	0	30	BDAC	
C[C@@H]1NCCn2cc(C(F)(F)F)nc21	38540988	YXTNVGKBVBENMV-YFKPBYRVSA-N	205.183	1.566	0	30	BDAC	
CCOC(=O)C[C@H](N)c1cc(F)cc(F)c1	2540656	HTVUQUATLOWFDK-JTQLQIEISA-N	229.226	1.918	0	30	BDAC	
COCCOC(OCCOC)C(C)C	135881074	UUDNWMYGHGPMKZ-UHFFFAOYSA-N	206.282	1.295	0	30	BDAC	
CCOC(=O)CCC1(C)OCCCO1	143152925	OKTDGFGHVCBBMH-UHFFFAOYSA-N	202.250	1.483	0	30	BDAC	
CC(C)S(=O)(=O)c1csc(C(=O)O)c1	1037754	ZDDVMNMNEKTFMR-UHFFFAOYSA-N	234.298	1.628	0	30	BDAC	
O=C(O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2	100486257	AUZBEXWVMFBWAT-KVTDHHQDSA-N	210.151	1.427	0	30	BDAC	in-vitro
CCOC(=O)[C@H]1CCc2cccnc2C1=O	59859803	ZQSOTSIQDYPBMQ-VIFPVBQESA-N	219.240	1.390	0	30	BDAC	
CCOC(=O)[C@@H](N)Cc1ccc2cnccc2c1	33784804	SUGUOSMFHUCJNE-ZDUSSCGKSA-N	244.294	1.668	0	30	BDAC	
COc1ccc2c(c1)[C@H](N)[C@H](OC)CC2	86119288	GLKZLMXELQFUOC-NEPJUHHUSA-N	207.273	1.656	0	30	BDAC	
CN1CC[C@@H](c2ccccc2)C[C@@H]1C(=O)O	222231841	MFDXFGCQIALBKU-VXGBXAGGSA-N	219.284	1.949	0	30	BDAC	
NC[C@@H]1C[C@H](F)CN1Cc1cccs1	238854726	OWUQEEHZKUTZSJ-IUCAKERBSA-N	214.309	1.619	0	30	BDAC	
CC(C)(O)C(C)(C)OB(O)[C@H]1CCCOC1	384157133	QSWAYCZGQYPRFM-VIFPVBQESA-N	230.113	1.214	0	30	BDAC	
O=C(O)[C@H]1COc2c(Cl)cccc2C1	82372211	UDKQQZGONLQYLV-SSDOTTSWSA-N	212.632	1.976	0	30	BDAC	
CS(=O)(=O)Nc1ccc2[nH]ccc2c1	34116550	FUCXHYNBFBTGJX-UHFFFAOYSA-N	210.258	1.539	0	30	BDAC	
CCCCOCCOC[C@H](C)O[C@H](C)CO	33638063	HJOGMSDBCIAOPG-NEPJUHHUSA-N	234.336	1.606	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1N	709927066	DFNHDENZYXCPSX-YUMQZZPRSA-N	200.282	1.248	0	30	BDAC	
CCc1noc(C2(CCOC)CCNCC2)n1	701941444	ZBPCXMJVELBQJX-UHFFFAOYSA-N	239.319	1.290	0	30	BDAC	
Oc1ncc(Br)c2ncncc12	73738981	CUJNMOCHMSXKKC-UHFFFAOYSA-N	226.033	1.493	0	30	BDAC	in-vitro
Cn1cc(C(=O)O)c(C2CCOCC2)n1	147089386	QTJMXWPMPORTEE-UHFFFAOYSA-N	210.233	1.012	0	30	BDAC	
CCOc1cc(C(F)(F)F)cnc1C(=N)N	109651	YOXIEFXNEWNBIW-UHFFFAOYSA-N	233.193	1.783	0	30	BDAC	
CN(C)/C=C/C=C1\N=C(c2ccccc2)OC1=O	53224632	CNYJWZYKUNFDSF-CQJQESKGSA-N	242.278	1.949	0	30	BDAC	
COCC1(NC(=O)OC(C)(C)C)CC(=O)C1	1535541734	RTLBKTVJZHUBJL-UHFFFAOYSA-N	229.276	1.259	0	30	BDAC	
CN[C@](CO)(c1ccccc1)C(F)(F)F	1535644796	PQHYSYXTCAZCGK-SECBINFHSA-N	219.206	1.656	0	30	BDAC	
O=C(O)[C@@]1(Cc2ccc(O)cc2)CCCN1	215684652	HOCWELHHUBETFC-LBPRGKRZSA-N	221.256	1.142	0	30	BDAC	
Cc1nn(C)cc1-c1ccnc(Cl)n1	606279289	OFBQUSSMVCBHQQ-UHFFFAOYSA-N	208.652	1.839	0	30	BDAC	
O=C(O)c1nccnc1-c1ccncc1	77296952	ZEXVVQMZNWJFFD-UHFFFAOYSA-N	201.185	1.237	0	30	BDAC	
O=C(O)Cc1ncc(C(F)(F)F)cn1	95642160	VQGQJDZHIDYKEM-UHFFFAOYSA-N	206.123	1.123	0	30	BDAC	
CCCc1ccc(NC(=S)NCCO)cc1	4347676	ABLZISXVIIWHRG-UHFFFAOYSA-N	238.356	1.918	0	30	BDAC	
c1ccc2nc(CN3CCNCC3)ccc2c1	20244484	VKUOCFNMBIBWEY-UHFFFAOYSA-N	227.311	1.640	0	30	BDAC	
CCO[C@@H]1C[C@@H]2CNCc3cccnc3N2C1	1535202658	UISBFYZNOQXJTR-VXGBXAGGSA-N	233.315	1.169	0	30	BDAC	
CCOC(CN)(OCC)c1cccnc1	34590598	PIDGKJDUFGHEQD-UHFFFAOYSA-N	210.277	1.266	0	30	BDAC	
CO[P@](=O)(O)[C@@H](O)C(Cl)(Cl)Cl	5998405	KFPHBRHXSUAGID-UWTATZPHSA-N	243.410	1.507	0	30	BDAC	in-vitro
CCO[C@@]1(OC(C)=O)N=NC(C)(C)O1	39099139	NJSCYEZEGLGJTH-MRVPVSSYSA-N	202.210	1.416	0	30	BDAC	
CC(=O)N[C@@H]1CCC(=O)c2sccc21	5160387	RSZVADWXNPHYKP-MRVPVSSYSA-N	209.270	1.902	0	30	BDAC	
NC(=O)c1cccc(Oc2ccc(N)nc2)c1	19869301	REBNIICOYGOKGS-UHFFFAOYSA-N	229.239	1.555	0	30	BDAC	in-vitro
COc1cnc(Cl)nc1NC1CCNCC1	66348025	ZDLILMQNLSEPLK-UHFFFAOYSA-N	242.710	1.303	0	30	BDAC	
CC(=O)O[C@H](CNN=O)c1ccccc1	201170232	NRWCFONAUNSLMH-SNVBAGLBSA-N	208.217	1.562	0	30	BDAC	
CCC(CC)[C@@]1(C)C(=O)NC(=O)N(C)C1=O	1844329	UOYFVXJIGHQGPI-NSHDSACASA-N	226.276	1.137	0	30	BDAC	
COC(CN)(OC)c1cccc(Cl)c1	87224747	GPEKILCWIONBSF-UHFFFAOYSA-N	215.680	1.744	0	30	BDAC	
CCCCCCNC(=O)NCCC(=O)O	2144211	PUTUIPMEMDIVCT-UHFFFAOYSA-N	216.281	1.341	0	30	BDAC	
NCc1ccc(C(=O)NCc2ccco2)cc1	19722302	VKBUFSDOMHZQGE-UHFFFAOYSA-N	230.267	1.668	0	30	BDAC	
COc1cccc([C@H]2NCC[C@@H]2C(=O)O)c1	75421847	BEQFGVOUHJNOCT-WDEREUQCSA-N	221.256	1.430	0	30	BDAC	
O=C(OCc1ccccc1)C1(O)CCOCC1	117660010	GGQCEPDKMHFVSL-UHFFFAOYSA-N	236.267	1.271	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3N	306707321	LWPWUINBEYWRGR-FBDQPXRJSA-N	238.331	1.589	0	30	BDAC	
CC(C)(C)OC(=O)N[C@]1(CC(=O)O)CCOC1	307735987	RHPKUNWRXGWCNZ-NSHDSACASA-N	245.275	1.145	0	30	BDAC	
CCOC(=O)[C@@H](CC(=O)C1CC1)C(C)=O	521399648	BGXKYGJIIHLFPM-VIFPVBQESA-N	212.245	1.124	0	30	BDAC	
FC1(F)[C@H]2CNC[C@@]2(Cl)C1(F)F	584883266	PARHJRQLCVJPPY-IMJSIDKUSA-N	203.566	1.468	0	30	BDAC	
CCc1c(C)nn(C(=O)OC)c1C(=O)OC	39102655	SYBUOLCBAFRAAR-UHFFFAOYSA-N	226.232	1.155	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@]2(CO)C[C@H]1CCO2	2265385162	JHVJKMWVZVWIGN-BXKDBHETSA-N	243.303	1.147	0	30	BDAC	
COc1ccc([C@H](CC(N)=O)CC(=O)O)cc1	137891	TWOBZOCYRADJOC-SECBINFHSA-N	237.255	1.129	0	30	BDAC	
CC(C)CNC(=O)[C@H]1CC(c2ccccc2)=NO1	158563	XXTGIZFITKBREZ-CYBMUJFWSA-N	246.310	1.952	0	30	BDAC	
O=C(O)c1[nH]nc2cc(OC(F)F)ccc12	71623964	WOTMSMCFGIWLNI-UHFFFAOYSA-N	228.154	1.863	0	30	BDAC	
Cc1cc(OCCO)n(Cc2ccccc2)n1	3641573	LCSOYHAUBXUTBQ-UHFFFAOYSA-N	232.283	1.611	0	30	BDAC	
O[C@H]1CCCn2c1cnc2Br	258552349	RBFKJVJPSUOHRU-LURJTMIESA-N	217.066	1.473	0	30	BDAC	
COC(=O)CCCC(=O)CCCC(=O)OC	71784025	YSUOGWANLOPQRT-UHFFFAOYSA-N	230.260	1.242	0	30	BDAC	
O=C1CC[C@H](OCc2ccccc2)CO1	196414258	BLFBSPVPEHAYOY-NSHDSACASA-N	206.241	1.909	0	30	BDAC	
CN1CCC[C@H](c2nn(C)c3c2CCCCN3)C1	3697851	XRWBTFJARRSWHO-NSHDSACASA-N	248.374	1.978	0	30	BDAC	
O=C(O)CC[C@@H](O)c1ccc2c(c1)CCC(=O)N2	20217912	BZUPALUDUDLLQA-LLVKDONJSA-N	249.266	1.470	0	30	BDAC	
COc1ccc(NC(=O)C[C@H](C)O)cc1	6666274	ALNDNTRJUIATNA-QMMMGPOBSA-N	209.245	1.405	0	30	BDAC	
Cc1ccnc2[nH]cc(CCC(=O)O)c12	35569614	IHELUIFNHAGSHG-UHFFFAOYSA-N	204.229	1.889	0	30	BDAC	
CC1(C)OC[C@]2(C)[C@@H](O)CCC[C@@H]2O1	39111309	RTICNWIPEBELMF-ATZCPNFKSA-N	200.278	1.689	0	30	BDAC	
Nc1c(Cl)cc(Cl)cc1S(=O)(=O)O	44830491	UUBOVWHMFBDDEN-UHFFFAOYSA-N	242.083	1.822	0	30	BDAC	
CCn1cc([C@H]2NCC23CCOCC3)cn1	694986508	OVOHBLWDANYDBL-LLVKDONJSA-N	221.304	1.344	0	30	BDAC	
NN=c1[nH]nc(Cl)c2c1[C@H]1CC[C@@H]2CC1	2265340047	OKYVDAQDLSUHPJ-OLQVQODUSA-N	224.695	1.592	0	30	BDAC	
Cc1cc(O)cc(C)c1/C=C1\NC(=O)NC1=O	13464356	SETYMDQNVJNJPG-YHYXMXQVSA-N	232.239	1.189	0	30	BDAC	
C[C@H]1C[C@H](C(=O)O)[C@@H](C(=O)O)C[C@H]1C	13464343	NSVFQYRNBOFQMT-YWIQKCBGSA-N	200.234	1.454	0	30	BDAC	
O=C1CC(S(=O)(=O)c2ccccc2)C1	307342807	HZVUJVQFPVDNMV-UHFFFAOYSA-N	210.254	1.192	0	30	BDAC	
CCOc1ccc(O)cc1CC(=O)OC	39099696	HVURTMYAAUPKKG-UHFFFAOYSA-N	210.229	1.506	0	30	BDAC	
O=C(c1cccc(Cl)c1)N1CC(O)C1	62808514	YLHGLTAQTUWSMG-UHFFFAOYSA-N	211.648	1.157	0	30	BDAC	in-vitro
O=C(O)c1nc2ccc(C(F)(F)F)nc2[nH]1	95642120	CCBCZVVUMYICIW-UHFFFAOYSA-N	231.133	1.675	0	30	BDAC	
COC(=O)c1cccc(C(F)(F)C(=O)O)c1	585671677	UXNGDVHYLOUHFT-UHFFFAOYSA-N	230.166	1.650	0	30	BDAC	
O=C(O)C1([C@H]2CCCO2)CCOCC1	606275348	PSLHPJYOPBLVKW-MRVPVSSYSA-N	200.234	1.047	0	30	BDAC	
O=C(O)c1ccc2c(C(=O)O)c(O)ccc2c1O	115393130	STQCUBPDRIONGM-UHFFFAOYSA-N	248.190	1.647	0	30	BDAC	
CCOC(=O)C(=O)/C=C/c1cccnc1	32099171	IJSWFJIAEGIIMY-AATRIKPKSA-N	205.213	1.227	0	30	BDAC	
COC(=O)c1ccc2c(c1)[C@H](C)NCC2	60053735	FECPVEISYOJZBN-QMMMGPOBSA-N	205.257	1.680	0	30	BDAC	
C[C@]12CCC3(C[C@H]1CCC2=O)OCCO3	34619652	NUXYBJCBFBFRJF-KOLCDFICSA-N	210.273	1.899	0	30	BDAC	
C[C@H](N)CC1CN(C(=O)OC(C)(C)C)C1	107454136	MKPSIBMCFWUOIA-QMMMGPOBSA-N	214.309	1.591	0	30	BDAC	
Nc1cc(S(=O)(=O)C(F)(F)F)ccc1O	141668847	ASDYMBLSNIBFMI-UHFFFAOYSA-N	241.190	1.268	0	30	BDAC	
CCOC(=O)CC(=O)c1cnn(CC)c1	40543242	HQNYGSCHJVXYEK-UHFFFAOYSA-N	210.233	1.039	0	30	BDAC	in-vitro
Cc1ccccc1-n1nnnc1[C@@H](C)C(=O)O	216670542	ZLOOFNBVTHODIM-MRVPVSSYSA-N	232.243	1.159	0	30	BDAC	
O[C@H]1C(=Cc2ccccn2)N2CCC1CC2	2265235838	RHDRPGLZVOJIJQ-CYBMUJFWSA-N	216.284	1.509	0	30	BDAC	
COC(=O)c1cnc2oc(CN)cc2c1	260596983	WDHRGNZPAWGPLR-UHFFFAOYSA-N	206.201	1.073	0	30	BDAC	
CCOC(=O)[C@@H](N)Cc1ccnc2ccccc12	38805170	MZFIBIOLQOUWQP-LBPRGKRZSA-N	244.294	1.668	0	30	BDAC	
O=C1[C@@H](O)CCCN1Cc1ccccc1	91351797	HVGCDCJXQQEGPC-NSHDSACASA-N	205.257	1.170	0	30	BDAC	in-vitro
COC(=O)c1cc(NC(C)=O)cc(OC)c1N	131865102	XZWMAFHXKOLSRJ-UHFFFAOYSA-N	238.243	1.022	0	30	BDAC	
CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O	3647586	PANAMPMZPUJRLL-NSHDSACASA-N	243.266	1.261	0	30	BDAC	
CC(=O)c1cnc(N)c(Br)c1	113841195	DFALOJOPJMBVCQ-UHFFFAOYSA-N	215.050	1.629	0	30	BDAC	
CC[C@H]1NC(=O)N(c2cccc(N)c2)C1=O	37460254	JPEMQBLSSBKOKO-SECBINFHSA-N	219.244	1.104	0	30	BDAC	
C[C@H]1C[C@@H](N2CNC(=S)NC2)CC(C)(C)C1	20444241	QLYOUVNYMNCTDU-VHSXEESVSA-N	241.404	1.896	0	30	BDAC	
Oc1cccc2c3c(ccc12)C[C@H](O)CN3	34064368	DTAFUEOJPSQELT-VIFPVBQESA-N	215.252	1.874	0	30	BDAC	
CN(C)c1ccc(N[C@H]2CCCNCC2)cn1	97053985	WEEPSNPAXFSEPX-NSHDSACASA-N	234.347	1.702	0	30	BDAC	
COC(=O)[C@H](C)c1ccccc1[N+](=O)[O-]	146957942	HZQJIRPOWBNSQO-SSDOTTSWSA-N	209.201	1.871	0	30	BDAC	
CC(C)(C)OC(=O)NCc1ccncc1N	257836972	AUZGUOWGHHCQOD-UHFFFAOYSA-N	223.276	1.689	0	30	BDAC	
Nc1nnc(C(F)(F)F)cc1Br	701683536	PIZSHCRWJOXLFZ-UHFFFAOYSA-N	241.998	1.840	0	30	BDAC	
NCC(F)(F)c1[nH]nc2c1CCCC2	238851200	FTGXJLZMECITOC-UHFFFAOYSA-N	201.220	1.339	0	30	BDAC	in-vitro
CSc1nc(N)nc(-c2csc(C)n2)n1	122724	CONHQKZCNGTWSR-UHFFFAOYSA-N	239.329	1.608	0	30	BDAC	
O=S1(=O)C=C[C@H](Nc2ccccc2O)C1	5338263	YGKSWEIBUNVXTM-QMMMGPOBSA-N	225.269	1.115	0	30	BDAC	
CCCCCCOC(=O)[C@@H]1CCC(=O)N1	5820310	IHPADOUYLWBQEN-VIFPVBQESA-N	213.277	1.389	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H](F)[C@H](CO)C1	95616559	UUTMCLLVLHWFJR-JGVFFNPUSA-N	219.256	1.184	0	30	BDAC	
CCOC(=O)[C@H]1Cc2ccc(OC)cc2C1=O	34581645	YBHPNCXDWWQQSG-NSHDSACASA-N	234.251	1.613	0	30	BDAC	
N[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1	79273590	ZMHVOVQAUQAVMY-NEPJUHHUSA-N	234.299	1.793	0	30	BDAC	
Cc1nn(C2CCN(C)CC2)c(Cl)c1C=O	725712461	ZJAZZSSNCMXNIK-UHFFFAOYSA-N	241.722	1.924	0	30	BDAC	
CCOC(=O)Cc1cccnc1Br	140866927	AQTUXMZRNFTALI-UHFFFAOYSA-N	244.088	1.950	0	30	BDAC	
CC(C)(C)OC(=O)N[C@]1(C(=O)O)[C@H]2CC[C@H]21	2265384709	NIZKROFLGFJBRK-IIDWOEFGSA-N	227.260	1.374	0	30	BDAC	
COc1ccccc1N1C[C@H](C(=O)O)CCC1=O	51602736	IOPGLRDFNCXXJD-SECBINFHSA-N	249.266	1.523	0	30	BDAC	in-vitro
CCOC(=O)c1nn2ccccc2c1N	39085571	MHKJKJNLGUXOEF-UHFFFAOYSA-N	205.217	1.093	0	30	BDAC	
CC1=N[C@H]2C=CC(Br)=CN2C1	95635443	OIJXUFHQRJOAAO-MRVPVSSYSA-N	213.078	1.895	0	30	BDAC	
COC(=O)[C@H]1CS[C@H](c2ccccc2)N1	21988740	SGFAUQHDEFHPAQ-NXEZZACHSA-N	223.297	1.563	0	30	BDAC	
CCOC(=O)c1nc2c(s1)C(=O)CCC2	118880636	ZZMWDVVCXPSVTQ-UHFFFAOYSA-N	225.269	1.839	0	30	BDAC	in-vitro
CCCCCCN1C(=O)[C@@H]2CN=N[C@H]2C1=O	101415914	BMZFSCYIQIFSQJ-RKDXNWHRSA-N	223.276	1.386	0	30	BDAC	
CCCCCCN1C(=O)[C@H]2CN=N[C@H]2C1=O	17084026	BMZFSCYIQIFSQJ-DTWKUNHWSA-N	223.276	1.386	0	30	BDAC	
O=C(O)C12CC(C1)[C@@H](c1ccccc1)O2	2265383530	ACCFWSYSSAQQEG-SQLBVSGCSA-N	204.225	1.991	0	30	BDAC	
CSC[C@H](NC(=O)c1ccccc1)C(=O)O	25494914	YOHNCCKDTALPLD-VIFPVBQESA-N	239.296	1.233	0	30	BDAC	
CS(=O)(=O)c1ccc(/C=C(\O)C(=O)O)cc1	100250410	LTQAOTPIQQRNGW-TWGQIWQCSA-N	242.252	1.074	0	30	BDAC	
OCc1cc(CCc2ccccc2)no1	34562998	SWTNBQGKLVJGRU-UHFFFAOYSA-N	203.241	1.952	0	30	BDAC	
CCO[C@@H]1C=C[C@H]2OC(=O)C=CC[C@H]2O1	39099753	RHMZSGBJFIGIOW-KKZNHRDASA-N	210.229	1.176	0	30	BDAC	
O=C(O)C1(c2cc(C(F)(F)F)no2)CC1	74072683	UXTDYYIQCRYZSZ-UHFFFAOYSA-N	221.134	1.810	0	30	BDAC	
FC(F)(F)[C@H]1CCNCC12CCOCC2	299805294	HMPMMGLOKNPPGM-QMMMGPOBSA-N	223.238	1.955	0	30	BDAC	
COC[C@]1(C(=O)OC(C)(C)C)CCCN1	399591333	FQLWNKBKAOWIOM-NSHDSACASA-N	215.293	1.097	0	30	BDAC	
O=C(CC1OCCO1)C(F)(F)C(F)(F)F	584880071	CKOJRAAAYWQIJX-UHFFFAOYSA-N	234.120	1.516	0	30	BDAC	
[O-][n+]1ccc(Cl)c(Br)c1	330769	BHIIQGLVEGETEL-UHFFFAOYSA-N	208.442	1.736	0	30	BDAC	in-vitro
O=C(Nc1cccnc1)[C@@H]1CCCNC1	19410757	MASFFKHXAWQTKO-SECBINFHSA-N	205.261	1.020	0	30	BDAC	
Cc1noc(C)c1CNCC1CCOCC1	70159924	JZVDMANDPGODOX-UHFFFAOYSA-N	224.304	1.808	0	30	BDAC	
CN(C)c1cccc(-c2c[nH]c(CN)n2)c1	238333304	BMIABAUEBIMSLA-UHFFFAOYSA-N	216.288	1.601	0	30	BDAC	
Nc1ncnc(C(F)(F)C(F)(F)F)n1	238854111	MUIVKKVSZWPNSO-UHFFFAOYSA-N	214.097	1.108	0	30	BDAC	in-vitro
Cc1ccc2nnc([C@H](CN)C(C)C)n2n1	83602714	SMRDOKICZMJILV-SECBINFHSA-N	219.292	1.131	0	30	BDAC	in-vitro
NS(=O)(=O)Cc1ccc2ccccc2c1	50349983	MBMSFHGKLDTFJH-UHFFFAOYSA-N	221.281	1.628	0	30	BDAC	
COC(=O)C1(Oc2cncc(Cl)n2)CC1	139817518	IVOYJKWSEAFVLR-UHFFFAOYSA-N	228.635	1.214	0	30	BDAC	
COC(=O)c1nc(Cl)c(Cl)cc1N	238349653	UGYRJRZDROMNLC-UHFFFAOYSA-N	221.043	1.757	0	30	BDAC	in-vitro
Cc1ncnc2c1ncn2[C@@H]1CCCCO1	141116247	WBWYVTCATBCSLB-VIFPVBQESA-N	218.260	1.834	0	30	BDAC	
N[C@H](CO)C(C(F)(F)F)C(F)(F)F	141597686	OCQSSEXKSFDUAH-UWTATZPHSA-N	211.105	1.047	0	30	BDAC	
COC(=O)Cc1c(C(=O)O)[nH]c2ccccc12	144496353	UFNYAHNUFYEDHB-UHFFFAOYSA-N	233.223	1.582	0	30	BDAC	
COc1ccc([C@@H](C)CC(N)=O)cc1OC	1855140	QPKFTACDOTUDHL-QMMMGPOBSA-N	223.272	1.683	0	30	BDAC	
CC(C)(C(=O)O)[C@H](N)c1ccc2c(c1)OCO2	26340440	FPSWHAWTWKQWHE-SNVBAGLBSA-N	237.255	1.526	0	30	BDAC	
Nc1cccc(-c2noc([C@@H]3CCOC3)n2)c1	48628430	HLULASBAAAEZMB-SECBINFHSA-N	231.255	1.823	0	30	BDAC	in-vitro
COC(=O)[C@@H](C(C)=O)c1ccccc1F	71512082	DXISVZJSLNIQIF-JTQLQIEISA-N	210.204	1.671	0	30	BDAC	
COCC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C	405457686	YDTHZSZTWFGIBX-SECBINFHSA-N	243.303	1.601	0	30	BDAC	
C[C@H](C(=O)O)C(=S)C(=S)[C@H](C)C(=O)O	38644185	ICOZEHWAFZQWAU-IMJSIDKUSA-N	234.298	1.168	0	30	BDAC	
COc1cc2cnc(N)cc2cc1OC	39119739	RPZJZZKBULSFPZ-UHFFFAOYSA-N	204.229	1.834	0	30	BDAC	
CC(=O)c1cc(C)nc(-n2ccnc2)n1	40435064	UUOINQWQJBVQTM-UHFFFAOYSA-N	202.217	1.173	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2CC(=O)[C@@H]21	199624176	ILMIVCFTQLIRIG-VXNVDRBHSA-N	211.261	1.585	0	30	BDAC	
OCC[C@@]1(CO)CC(F)(F)C1(F)F	669371657	NYMHWWFIHCSQFE-YFKPBYRVSA-N	202.147	1.022	0	30	BDAC	
CCOC(OCC)C(=O)Cc1ccc(O)cc1	94683656	NXLGCASJIFGYDP-UHFFFAOYSA-N	238.283	1.903	0	30	BDAC	
Cc1cnc(C(N)=O)cc1Br	95830397	DTUMWDDNPOHYPV-UHFFFAOYSA-N	215.050	1.251	0	30	BDAC	
Nc1ncc(Cc2ccc(F)cc2)c(N)n1	13726688	CYWWLUGRQFFCDK-UHFFFAOYSA-N	218.235	1.371	0	30	BDAC	
CN(C)C=CC(=O)Nc1ccc(F)cc1	2265237583	IKQXGCYRTUMNKX-UHFFFAOYSA-N	208.236	1.840	0	30	BDAC	
COc1cc(C(F)(F)F)c(-c2ncn[nH]2)cn1	123879	FEYTZFWKBBBGRN-UHFFFAOYSA-N	244.176	1.894	0	30	BDAC	
O=C(O)c1nccnc1C(=O)N1CCCCCC1	119324	DPHNMMLDVQJJLH-UHFFFAOYSA-N	249.270	1.191	0	30	BDAC	
CN1CCC(CNc2ccc(N)nc2)CC1	44516623	IZGNNKKAZUMRBS-UHFFFAOYSA-N	220.320	1.418	0	30	BDAC	
Cc1cccc(C)c1N1C(=O)CSCC1=O	3119527	HLAMDVFKFPMBTK-UHFFFAOYSA-N	235.308	1.910	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@]21C(=O)O	307459999	AVQWMFPNWOIVFJ-QPUJVOFHSA-N	241.287	1.861	0	30	BDAC	
FC(F)(F)c1cnccc1OC1CNC1	1536110867	CGBVIFYHHCWVFL-UHFFFAOYSA-N	218.178	1.451	0	30	BDAC	
FC1(F)CNCCN(Cc2ccccc2)C1	220492764	FVURTCJNKYXLTO-UHFFFAOYSA-N	226.270	1.727	0	30	BDAC	
NOCc1cc(Br)ccc1F	84492124	KAPZMVXZMLKBKL-UHFFFAOYSA-N	220.041	1.979	0	30	BDAC	
Cc1cc(N2CC[C@H](CO)C2)ccc1F	82945962	KGWPQLZZDAFDEM-JTQLQIEISA-N	209.264	1.953	0	30	BDAC	
COC(=O)[C@@]1(C(=O)O)C[C@@H]1c1ccccc1	146190509	KICBKCDHFFGKCB-SKDRFNHKSA-N	220.224	1.418	0	30	BDAC	
OC[C@@H]1CCCN(c2ccc(Cl)nn2)C1	35217005	ZJMRKZQVJAUYJG-MRVPVSSYSA-N	227.695	1.339	0	30	BDAC	
COC(=O)c1ccc(N)c(NCc2ccon2)c1	213195746	LBGZDHWBYVVXDN-UHFFFAOYSA-N	247.254	1.656	0	30	BDAC	
COc1ccc(OC(F)F)c(CN)c1	37094216	FPHGUWBMDJCQIB-UHFFFAOYSA-N	203.188	1.755	0	30	BDAC	in-vitro
OC[C@]1(O)CCCN(Cc2ccccc2)C1	72266733	XOFDNFCDAYQIEF-ZDUSSCGKSA-N	221.300	1.006	0	30	BDAC	
O=C(O)CC1(C(=O)O)CCCCCC1	79250	PKADOCGFNYVGOP-UHFFFAOYSA-N	200.234	1.886	0	30	BDAC	
Cc1cc(N(C)C)ccc1S(=O)(=O)O	39109685	JBWYBPIHLOOOGL-UHFFFAOYSA-N	215.274	1.308	0	30	BDAC	
CCOC(=O)Cc1cnc2c(C)cccn2c1=O	32219947	INWGIESOXMAPPF-UHFFFAOYSA-N	246.266	1.109	0	30	BDAC	
Cc1ccc([C@@H]2CNC[C@@H](C(=O)O)C2)cc1	82162749	SGEXGOHIRXHOLR-RYUDHWBXSA-N	219.284	1.773	0	30	BDAC	
O=C(O)Cc1cc(F)ncc1Br	238685844	IXKRSUOVVJIOBL-UHFFFAOYSA-N	234.024	1.610	0	30	BDAC	
COC(=O)c1cc2nc[nH]c2cc1OC	260198591	VHAPGCZLNVXOGW-UHFFFAOYSA-N	206.201	1.358	0	30	BDAC	
C[C@]12C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1CC[C@H]2O1	606574807	ZKTAEPUJVDEYKB-RRZJSNMYSA-N	212.289	1.076	0	30	BDAC	
CCCS(=O)(=O)Nc1ccc(N)c(F)c1	77362678	WNHFXZGGEANPNO-UHFFFAOYSA-N	232.280	1.560	0	30	BDAC	
COP(=O)(OC)[C@@]1(O)C[C@H]2CC[C@H]1C2	263589906	TWCSYTLFNUWDHQ-CIUDSAMLSA-N	220.205	1.981	0	30	BDAC	
Cc1cccc(N(CCCO)CCCO)c1	96336212	KWFXECXIZSUPLC-UHFFFAOYSA-N	223.316	1.566	0	30	BDAC	
Cc1cc(Br)c(CN)nc1C	2265385089	XVZRUCOWPNDYRL-UHFFFAOYSA-N	215.094	1.920	0	30	BDAC	
O=C(OCc1ccccc1)N1C[C@H]2C[C@H](O)[C@H]1C2	642880874	RSMKUMJCVWVRAZ-UPJWGTAASA-N	247.294	1.778	0	30	BDAC	
Cc1cccc(Cl)c1NC(=N)NC(=N)N	20286640	CZXQEOKTDYBKLL-UHFFFAOYSA-N	225.683	1.478	0	30	BDAC	
CN(C(=O)OC(C)(C)C)C1(CC(=O)O)CC1	141313612	SHBMTBLHTGBEMO-UHFFFAOYSA-N	229.276	1.861	0	30	BDAC	
COc1ccc(C[S@@](=O)C[C@@H](C)O)cc1	216605169	UZJIFXWUESBQGY-PSLIRLAXSA-N	228.313	1.325	0	30	BDAC	
O=C(O)[C@@H]1CCN(c2cccc(O)c2Cl)C1	145478097	KYOZXWAIGCLKSO-SSDOTTSWSA-N	241.674	1.957	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(F)F	258182320	HGXCLAHPWUQUGT-RXMQYKEDSA-N	239.218	1.620	0	30	BDAC	
NCc1ccc(NC(=O)C(F)(F)F)nc1	74380639	ZJQMKNPBTWOCHO-UHFFFAOYSA-N	219.166	1.041	0	30	BDAC	
C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)O	107256455	XFZNDDRTARIPOU-NTSWFWBYSA-N	221.228	1.322	0	30	BDAC	
CCN1C[C@H](Cc2ccccc2)NCC1=O	35270169	FMNGPEBVOMESKQ-LBPRGKRZSA-N	218.300	1.049	0	30	BDAC	
O=C1COC[C@@H](NC(=O)OCc2ccccc2)C1	59243831	IJVLKKPUPGVGAM-NSHDSACASA-N	249.266	1.271	0	30	BDAC	
COc1nc(Br)c(Cl)nc1N	116960618	OVMPWGBJGCNIIG-UHFFFAOYSA-N	238.472	1.483	0	30	BDAC	
O=c1[nH]c2[nH]ccc2cc1Br	44712745	MEZYIQCBTFLVQM-UHFFFAOYSA-N	213.034	1.619	0	30	BDAC	in-vitro
C[C@@H]1NCC[C@H]1NC(=O)OC(C)(C)C	84237384	FIZGQOZZMQMOQI-JGVFFNPUSA-N	200.282	1.262	0	30	BDAC	in-vitro
CC[C@@H](NCC(=O)OC)c1ccccc1	19885336	GGEBRSXPLRWCKE-LLVKDONJSA-N	207.273	1.900	0	30	BDAC	in-vitro
C[C@@H]1COCCN1c1ccc(N)cc1F	35774366	YWUOALIUFIAHFE-MRVPVSSYSA-N	210.252	1.633	0	30	BDAC	
CC(C)(N)CC(=O)N1Cc2ccccc2C1	35949749	AGXCRXUUNZLUGW-UHFFFAOYSA-N	218.300	1.656	0	30	BDAC	
NC1(C(F)(F)F)Oc2ccccc2O1	34439183	DBWUPJGZOLJPLU-UHFFFAOYSA-N	205.135	1.633	0	30	BDAC	in-vitro
O=C(CCl)[C@@H]1CC[C@@H]2CC[C@@H](O)C[C@H]21	32147578	UGZFMOUIJAVIJS-SGIHWFKDSA-N	216.708	1.982	0	30	BDAC	
Cc1cccnc1-c1cncc(C(N)=O)c1	91365513	GXBQGQXKQJXFHQ-UHFFFAOYSA-N	213.240	1.551	0	30	BDAC	
CCCc1cc(=O)oc2c1c(C)nn2C	91819	BZVOQUDUTPCBAO-UHFFFAOYSA-N	206.245	1.787	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2N	105666850	VACFVWQUAZOQDH-HLTSFMKQSA-N	212.293	1.343	0	30	BDAC	
COc1ccc2c(c1)c(CCN)cn2C(C)=O	2517187	YJPIGAIKUZMOQA-UHFFFAOYSA-N	232.283	1.811	0	30	BDAC	biogenic
COC(=O)[C@@](C)(Br)C(C)C	39411642	BRXXNIVJTZPLGJ-ZETCQYMHSA-N	209.083	1.969	0	30	BDAC	
CCCC[C@H](CC)[C@H]1OC[C@@H](CO)O1	31702562	VNMRSUHVTDURNJ-AXFHLTTASA-N	202.294	1.937	0	30	BDAC	
O[C@H]1CCCN(c2ccc(Cl)nn2)C1	35189054	KPHWCJVBMSJJCJ-ZETCQYMHSA-N	213.668	1.091	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]1C(N)=S	950757567	VMRYFJDXRAKKOA-ZCFIWIBFSA-N	216.306	1.282	0	30	BDAC	
COc1ccccc1-n1nccc1C(=O)O	212349469	UHDGSDPPGJSLFP-UHFFFAOYSA-N	218.212	1.579	0	30	BDAC	
O=[N+]([O-])c1ccc(F)c(Cl)c1NCCO	113539841	WAHHSJLFAFREMV-UHFFFAOYSA-N	234.614	1.792	0	30	BDAC	
C[C@@H]1[C@H](O)C[C@H]1NC(=O)OC(C)(C)C	253485973	STBOUGNAXSXNBH-XLPZGREQSA-N	201.266	1.280	0	30	BDAC	
Cc1cccc(C)c1OCCNC(=N)N	2006045	CKEYBAHJDLWWBQ-UHFFFAOYSA-N	207.277	1.165	0	30	BDAC	
CC(=O)Nc1cc(CN)cc(NC(C)=O)c1	39124307	UNWZEWGOOWFHMB-UHFFFAOYSA-N	221.260	1.062	0	30	BDAC	
O=C(NCc1ccccc1)[C@@H]1C[C@H]2CC[C@@H]1O2	72641304	GKISAEGSBCVXMS-UPJWGTAASA-N	231.295	1.870	0	30	BDAC	
c1cc(CN2CCNCC2)c2cc[nH]c2c1	82564921	COUJQDCXQPRAKR-UHFFFAOYSA-N	215.300	1.573	0	30	BDAC	
C[C@@]1(C2CCCCC2)OC[C@@H](CO)O1	95810982	MNGGBXINICRUAP-GHMZBOCLSA-N	200.278	1.691	0	30	BDAC	
CCN(CC)CCOC(=O)c1ccccc1O	1733655	QXNKAUNWERFBBV-UHFFFAOYSA-N	237.299	1.891	0	30	BDAC	in-man
CCCCNCC(=O)Nc1c(C)noc1C	39110818	CTRYYNSDHRORMM-UHFFFAOYSA-N	225.292	1.620	0	30	BDAC	
Cc1onc(CO)c1I	144241795	DNXUUFMHWSRECW-UHFFFAOYSA-N	239.012	1.080	0	30	BDAC	
Cc1c(C(N)=O)ncn1Cc1ccc(Cl)cc1	169184	UMZLHRUMKXONMS-UHFFFAOYSA-N	249.701	1.992	0	30	BDAC	
NC1(c2cccc([C@@H]3COCCO3)c2)CC1	95938194	PSMQNLQRQYXXMY-LBPRGKRZSA-N	219.284	1.722	0	30	BDAC	
Cc1cc([C@H](O)c2ccsc2)nn1C	300891905	MQSBBBQYKMXIFA-SNVBAGLBSA-N	208.286	1.872	0	30	BDAC	
C[C@@H]1CN=C2c3ccccc3NC(=O)N21	39105054	RYIWWMZZPBEFON-SSDOTTSWSA-N	201.229	1.683	0	30	BDAC	
C[S@](=O)Cc1ccc([S@](C)=O)cc1	221196250	VISBHIRBQQIRON-STQMWFEESA-N	216.327	1.303	0	30	BDAC	
COc1cc(C(F)F)c(C(=O)O)cn1	238339575	FHTMCDFOHROKRM-UHFFFAOYSA-N	203.144	1.726	0	30	BDAC	
OC[C@@H](O)c1ccc(C(F)(F)F)cc1	34583497	AJPLWVXTACBUHY-MRVPVSSYSA-N	206.163	1.731	0	30	BDAC	in-vitro
Cc1ccc(Cn2cc(F)c(=O)[nH]c2=O)cc1	12651319	POACFNLCTNKXFD-UHFFFAOYSA-N	234.230	1.032	0	30	BDAC	
CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)O)CO1	584880041	LIIMUSRCFSVPAE-RKDXNWHRSA-N	244.287	1.598	0	30	BDAC	
CCN1CCC[C@@]12C(=O)Nc1ccccc12	33824252	MSIOJTCPQQGQJO-CYBMUJFWSA-N	216.284	1.950	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCNC2)C1	83135135	NSYCYVWHKGRXGP-WDEREUQCSA-N	240.347	1.853	0	30	BDAC	
COc1ccc(COc2cn[nH]c2)cc1	258242757	AFSJRELGWLBGLF-UHFFFAOYSA-N	204.229	1.997	0	30	BDAC	
CC(=O)OCc1cnc2ccc(Cl)nn12	382682652	CVBWLGANSUSVFR-UHFFFAOYSA-N	225.635	1.446	0	30	BDAC	
CC(=O)O[C@@H]1C[C@@H]2[C@H](C[C@]1(C)O)C2(C)C	5166393	ULLVLQDHBOHWGJ-KLBPJQLPSA-N	212.289	1.735	0	30	BDAC	
CC(=O)c1nc(Br)ccc1O	95773847	LVNKZMOQKBGRDX-UHFFFAOYSA-N	216.034	1.752	0	30	BDAC	
CC(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)O	209880927	RDQRLWWKIWKXNI-MRVPVSSYSA-N	247.291	1.389	0	30	BDAC	
COC(=O)c1ccc2c(c1)NC(=O)[C@H](C(C)C)O2	259738258	JUPZGKWUZXVPQF-NSHDSACASA-N	249.266	1.829	0	30	BDAC	
Cc1cc(-c2noc(-c3snnc3C)n2)no1	123392	UMYWSQXPLXGQLI-UHFFFAOYSA-N	249.255	1.860	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H](C(N)=S)C1CC1	70212195	VXGCYMNFTAGKOZ-SSDOTTSWSA-N	230.333	1.576	0	30	BDAC	
C[C@]1(c2nc(Br)no2)CCOC1	258791739	JRLSECKLAPDOSE-ZETCQYMHSA-N	233.065	1.510	0	30	BDAC	
C[C@@](N)(CN)c1ccc2c(c1)CCCC2	33864699	IEBRCGJQUGYYCT-CYBMUJFWSA-N	204.317	1.698	0	30	BDAC	
OC[C@H]1CCCN1Cc1nc2c(s1)CCC2	132487343	HCENAOXIJPVTMZ-SECBINFHSA-N	238.356	1.589	0	30	BDAC	
COC(=O)CSc1cncc(Cl)n1	36336830	MLBRNPHNWYQEQR-UHFFFAOYSA-N	218.665	1.395	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1CCC[C@H](N)[C@H](F)C1	215170807	NBOGKMXMCRIGDG-BDAKNGLRSA-N	232.299	1.683	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CCOC(=O)CC1	1536220665	XVZXEVNLPPLQOM-MRVPVSSYSA-N	229.276	1.607	0	30	BDAC	
CC[C@@H]1NCCN(Cc2ccccc2)C1=O	39102043	KNCGLCCRTWMOON-LBPRGKRZSA-N	218.300	1.397	0	30	BDAC	
O=C(O)c1sc(C(=O)O)c2cnccc12	45237925	CFDWGZCUXWNGHK-UHFFFAOYSA-N	223.209	1.693	0	30	BDAC	
NS(=O)(=O)c1cc(F)cc(OC(F)F)c1	238620066	PQNHVQAXRICMSV-UHFFFAOYSA-N	241.190	1.075	0	30	BDAC	
C[C@@H]1CCN(Cc2ccccc2)[C@@H]1CO	148959847	FLGMZFFCWQYRFZ-DGCLKSJQSA-N	205.301	1.889	0	30	BDAC	
Oc1ccc2ccccc2c1CCc1nn[nH]n1	5935165	OZQUQWUEFGRJOG-UHFFFAOYSA-N	240.266	1.844	0	30	BDAC	
COC(=O)C[C@@H](N)Cc1ccc(C)cc1	74479376	LOHMDJMUHOWLHD-NSHDSACASA-N	207.273	1.428	0	30	BDAC	
NS(=O)(=O)c1ccc2nc(Cl)sc2c1	306808310	OPVRIYXTDXZDBX-UHFFFAOYSA-N	248.716	1.597	0	30	BDAC	
NC[C@@H](CO)Cc1cccc(Br)c1	26476817	BWXWCNDLDYSPDC-VIFPVBQESA-N	244.132	1.559	0	30	BDAC	
CC1(C)O[C@H]2[C@@H](CO[C@@H]3OC(C)(C)O[C@H]23)O1	255994420	PITVFGWVJISGEN-BZNPZCIMSA-N	230.260	1.014	0	30	BDAC	
COC(=O)N(C)C[C@H]1CCCN(C)C1	258846934	UCSROEHRMYHEAU-VIFPVBQESA-N	200.282	1.026	0	30	BDAC	
FC(F)C(F)(F)CSC1=NCCCN1	72232840	XUQSLSPLTTULJS-UHFFFAOYSA-N	230.230	1.969	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]1(CN)C2	100230990	ILROOPKXIQCYMQ-CABZTGNLSA-N	226.320	1.735	0	30	BDAC	
CCC1=C[C@@H]2[C@@H](C1)C[C@]2(CN)CC(=O)O	117200300	FTBQORVNHOIASH-HOSYDEDBSA-N	209.289	1.782	0	30	BDAC	
Cc1ccc(OC[C@@](C)(O)CO)cc1C	6071205	IFSQBTQASZDHGA-LBPRGKRZSA-N	210.273	1.426	0	30	BDAC	
NCc1cnc(-c2cccc(F)c2)nc1	54855272	MCHWLYZSRSPFAA-UHFFFAOYSA-N	203.220	1.741	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CNC[C@@H]2C[C@@H]21	39093702	XGLFMLXUHIJJGF-CIUDSAMLSA-N	212.293	1.119	0	30	BDAC	
CCOC(=O)Cc1nc(C)oc1OCC	39100021	MQNVNZCIBPKDHW-UHFFFAOYSA-N	213.233	1.487	0	30	BDAC	
COCCCOc1ccnc(CN)c1C	95830747	VGSJILMOTOAUMI-UHFFFAOYSA-N	210.277	1.264	0	30	BDAC	
COC(=O)c1nc2ccc(F)nc2s1	96034660	UQICKCQYIFYWCP-UHFFFAOYSA-N	212.205	1.617	0	30	BDAC	in-vitro
Cc1n[nH]c2c(NC3CCC3)ncnc12	45808953	IMNHPLRUDLVQLT-UHFFFAOYSA-N	203.249	1.626	0	30	BDAC	
Cc1cc(F)ccc1NC(=S)NCCO	4377405	WFPWWZHHRBDIJJ-UHFFFAOYSA-N	228.292	1.413	0	30	BDAC	
CCOC(=O)c1cc2c(C)nn(C)c2nc1C	34611864	CELVKOQNKMGWGA-UHFFFAOYSA-N	233.271	1.762	0	30	BDAC	
Nc1ccc(Br)c2c1CCO2	82320404	VDXFVXVRUDZOQZ-UHFFFAOYSA-N	214.062	1.966	0	30	BDAC	
CN(C)C(=O)CCCCCCCC(=O)N(C)C	2019645	RBBBAMFNMHEFOH-UHFFFAOYSA-N	242.363	1.894	0	30	BDAC	
CCOC(=O)N1CCC[C@H]([C@@H](C)N)C1	69725457	GGPAWRCOUINSRY-BDAKNGLRSA-N	200.282	1.202	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCC12CC2	2265383714	WBLQEWLSKCEHQE-GFCCVEGCSA-N	241.287	1.909	0	30	BDAC	
COC(=O)c1cc(C(N)=O)c(SC)s1	125645	HDWLYMDKTFLLHN-UHFFFAOYSA-N	231.298	1.356	0	30	BDAC	
Nc1ccccc1[C@H](O)Cc1ccncc1	17145640	XWTFNPSOPFWFBO-CYBMUJFWSA-N	214.268	1.940	0	30	BDAC	
CCOC(=O)CN1Cc2ccccc2OC1=O	3622206	AGILOUWCNJCUIT-UHFFFAOYSA-N	235.239	1.564	0	30	BDAC	
CCc1ccc(OC)c([C@H](N)C(=O)O)c1	3676850	RGZKHUIFUOKTGV-JTQLQIEISA-N	209.245	1.342	0	30	BDAC	
CCOc1ccc2c(NN)ccnc2c1	32064589	BHHKJBVHBZTYHL-UHFFFAOYSA-N	203.245	1.919	0	30	BDAC	
O=C(Nc1cccc(F)c1)OC1CNC1	86230748	VFTXBJDAXKJPRL-UHFFFAOYSA-N	210.208	1.346	0	30	BDAC	
CN[C@H](c1ccc(F)cc1)c1ncc[nH]1	87341136	XRDXFNGIDWQMCG-SNVBAGLBSA-N	205.236	1.858	0	30	BDAC	
CN1CCn2cc(Br)nc2C1	238343069	JIAMINUMJKIGAZ-UHFFFAOYSA-N	216.082	1.091	0	30	BDAC	
CC1(c2nnc(Br)[nH]2)CC1	258121748	PMYIMUHNXNYDQS-UHFFFAOYSA-N	202.055	1.619	0	30	BDAC	
CC(C)(C)OC(=O)NCCN1CCSCC1	171836370	DNHLRJRKDIFPIL-UHFFFAOYSA-N	246.376	1.560	0	30	BDAC	
CCCCCCOC(=O)[C@H](C)OC(=O)[C@@H](C)O	1724031	GVMIXAYWPARWDD-ZJUUUORDSA-N	246.303	1.422	0	30	BDAC	
N[C@@H]1CCN(C2CC2)[C@H]1c1ccccc1	69800200	VWYQMPOPLCLVIF-OLZOCXBDSA-N	202.301	1.923	0	30	BDAC	
COC(=O)[C@H]1CCCN[C@H]1C(F)(F)F	107469841	XGQFXQBGSMIIPC-NTSWFWBYSA-N	211.183	1.090	0	30	BDAC	
CCNCc1cnn(-c2ccccc2)n1	20245887	CEAYWQMPBXEMGK-UHFFFAOYSA-N	202.261	1.377	0	30	BDAC	in-vitro
Cc1c(F)cc(N)c2c1CC[C@H](N)C2=O	22007021	RPUUXMPPXRDSFF-QMMMGPOBSA-N	208.236	1.173	0	30	BDAC	
C[C@H]1NCCn2cc(C(F)(F)F)nc21	38540986	YXTNVGKBVBENMV-RXMQYKEDSA-N	205.183	1.566	0	30	BDAC	
CN(CC(C)(C)C(=O)O)C(=O)OC(C)(C)C	238313117	PDVPUMMDQRXURL-UHFFFAOYSA-N	231.292	1.964	0	30	BDAC	
COC(=O)c1nc(C2CCNCC2)oc1C	390303688	DBRKCBUPDRAVTC-UHFFFAOYSA-N	224.260	1.237	0	30	BDAC	
COC(=O)C[C@H](N)Cc1cccc(F)c1	199598975	ROUVRMVHUGAZIX-SNVBAGLBSA-N	211.236	1.259	0	30	BDAC	
Clc1nnc(Cl)c2nccnc12	34349336	NTGDKCOBTQISBV-UHFFFAOYSA-N	201.016	1.727	0	30	BDAC	
O=C1N=C(O)CCN1OCCc1ccccc1	3627370	YRYXECXHQVKUMW-UHFFFAOYSA-N	234.255	1.943	0	30	BDAC	
CNC1CCN(CCc2ccccc2)CC1	37241611	GRGJMBLGCFJMPP-UHFFFAOYSA-N	218.344	1.913	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]1CCN	142487630	KHJAQTONQACTCR-QMMMGPOBSA-N	200.282	1.345	0	30	BDAC	
CC(=O)C(C)(C)OC(=O)N1CCSCC1	90878	QWFBTUZYBRWNMH-UHFFFAOYSA-N	231.317	1.539	0	30	BDAC	
CCOC(=O)C1CCC(O)(C[C@@H]2CO2)CC1	642882393	VRRHBZSACFVUQD-SQLBVSGCSA-N	228.288	1.260	0	30	BDAC	
O=C1CC2(CCOCC2)Oc2ncccc21	1535543789	UQLMDNZLCTUNAU-UHFFFAOYSA-N	219.240	1.596	0	30	BDAC	
O=C(O)c1cc(F)cc(Br)n1	95761379	YQRLIXGANBRTOK-UHFFFAOYSA-N	219.997	1.681	0	30	BDAC	
CCOC(=O)[C@H]1CNC[C@]1(C)C(F)F	698803240	JDLGFEFWVGZJCM-MUWHJKNJSA-N	207.220	1.040	0	30	BDAC	
OCc1cnc(-c2ccc(F)cc2)nc1	35323405	LBIBAMPCOZSGEL-UHFFFAOYSA-N	204.204	1.775	0	30	BDAC	in-vitro
N[C@@H](C(=O)O)c1cc(F)cc(C(F)(F)F)c1	116925023	GPCWMBICDBHTFV-SSDOTTSWSA-N	237.152	1.929	0	30	BDAC	
CN1C(=O)C[C@@H](c2ccc(F)cc2)C1=O	146463598	GMTIORMWSHWVKS-VIFPVBQESA-N	207.204	1.298	0	30	BDAC	
Sc1ncnc2c1nnn2Cc1ccccc1	159207	TXHITBZOVLIDON-UHFFFAOYSA-N	243.295	1.558	0	30	BDAC	
O=C(O)c1cnc(-c2ccccc2)cn1	26423809	NVWQQCIAIZSEQK-UHFFFAOYSA-N	200.197	1.842	0	30	BDAC	
COC(=O)c1ccc2[nH]cc(C=O)c2n1	44712889	HLHZNRNOCCWOCE-UHFFFAOYSA-N	204.185	1.162	0	30	BDAC	
O=C(O)C1(c2ccccc2)CC2(COC2)C1	380404429	XKCLYIPJABZICA-UHFFFAOYSA-N	218.252	1.819	0	30	BDAC	
COC(=O)c1c(CCC(=O)O)c[nH]c1C	196432769	QQGSNIWZAGEWFY-UHFFFAOYSA-N	211.217	1.127	0	30	BDAC	
COc1cccnc1C(F)(F)C(=O)O	219932729	NKYKIORINXXZON-UHFFFAOYSA-N	203.144	1.267	0	30	BDAC	
O=C1[C@H]2CC[C@H](O)[C@H]1Cc1ccccc12	214306398	GQFDXYYDQTVPOY-TUAOUCFPSA-N	202.253	1.666	0	30	BDAC	in-vitro
O=C(O)[C@H]1CCN(c2cccc(O)c2Cl)C1	145478314	KYOZXWAIGCLKSO-ZETCQYMHSA-N	241.674	1.957	0	30	BDAC	
CC(C)(C)OC(=O)CC(=O)c1ncco1	575440691	NPTCTXMAXZZKRE-UHFFFAOYSA-N	211.217	1.589	0	30	BDAC	
NC(=O)c1cc(Oc2cccc(O)c2)ccn1	37674692	POLKWFIYLQLDNA-UHFFFAOYSA-N	230.223	1.678	0	30	BDAC	in-vitro
Nc1nc(Cl)nc(NC2CCCCC2)n1	38634500	BOFRFKAQZXMADZ-UHFFFAOYSA-N	227.699	1.852	0	30	BDAC	
NC(=O)c1cc(Br)sc1F	514265783	HNMQMEUBIPTIGY-UHFFFAOYSA-N	224.054	1.749	0	30	BDAC	
Cc1cc(C)cc(N(C[C@H](C)O)C[C@H](C)O)c1	5159955	PARPOEDUBHSEJZ-STQMWFEESA-N	237.343	1.871	0	30	BDAC	
CC(C)(C)OC(=O)N1CCN[C@@H](CC2CC2)C1	715402727	MNQCATPHOOGACT-NSHDSACASA-N	240.347	1.995	0	30	BDAC	
CN(C)C(=O)c1ccc(OCC(F)(F)F)nc1	78053	PYYMNCUXCHZOAT-UHFFFAOYSA-N	248.204	1.725	0	30	BDAC	
CC(C)(C)OC(=O)NCc1ccc(O)c(N)c1	62532637	JEWJBHNDBMTPMN-UHFFFAOYSA-N	238.287	1.999	0	30	BDAC	
Cc1nsc(CO)c1Br	1081244684	DYRHKEDGYCASTJ-UHFFFAOYSA-N	208.080	1.706	0	30	BDAC	
OCC12CC(Cc3ccccc3)(CO1)C2	1554692629	PLQVUBUDCFZBCL-UHFFFAOYSA-N	204.269	1.771	0	30	BDAC	
CC(C)(C)c1nnc(NC(N)=O)s1	77637753	HQECKTIAEXKUOS-UHFFFAOYSA-N	200.267	1.326	0	30	BDAC	
O=C1C=C(c2ccc(Br)cc2)CN1	140316806	BVBVWIADDJOSKH-UHFFFAOYSA-N	238.084	1.962	0	30	BDAC	
NCc1cc(F)c(Cl)c([N+](=O)[O-])c1	149145350	SGBOKITYYDTNNX-UHFFFAOYSA-N	204.588	1.846	0	30	BDAC	
CC(C)(C)OC(=O)N1[C@H](C(=O)O)CC[C@H]2C[C@@H]21	149931415	OUIBHCFUGWXKHT-CIUDSAMLSA-N	241.287	1.859	0	30	BDAC	
OC1(CCc2ccccc2)CCNCC1	20439027	XQJNVXPQSPYTAT-UHFFFAOYSA-N	205.301	1.734	0	30	BDAC	
COC(=O)C[C@@H](NC(C)=O)c1ccccc1	22016599	KAZREVDICMUGDL-LLVKDONJSA-N	221.256	1.427	0	30	BDAC	
Oc1ccc(N2CCNCC2)c(Cl)c1	75622262	JNBLRIODOVXKFM-UHFFFAOYSA-N	212.680	1.455	0	30	BDAC	
COC(=O)[C@H]1CCNc2ccc(OC)cc21	84781859	SOJFMSIOJOEQPO-VIFPVBQESA-N	221.256	1.767	0	30	BDAC	
c1cn(CCNC2CCSCC2)cn1	41041894	KLHBYYTXPHZDPN-UHFFFAOYSA-N	211.334	1.368	0	30	BDAC	
NC1CCC(O)(c2cccc(F)c2)CC1	84323631	RDEMVLPONBVSLS-UHFFFAOYSA-N	209.264	1.915	0	30	BDAC	in-vitro
CCOC(=O)c1c[nH]c2ccc(N)cc2c1=O	2265383651	KKNFMVIRCGXODR-UHFFFAOYSA-N	232.239	1.287	0	30	BDAC	
NC(=O)[C@H]1CCN(c2cccc(O)c2Cl)C1	222906857	LYKYOJFPAKFVBZ-ZETCQYMHSA-N	240.690	1.357	0	30	BDAC	
COC(=O)c1cc2c(Cl)nccn2n1	409430986	YATKNZLLAODCGS-UHFFFAOYSA-N	211.608	1.169	0	30	BDAC	
Cc1nc([C@H]2CCCN(C)C2)sc1C(=O)O	259238296	SHHYZRTWJCKBTQ-QMMMGPOBSA-N	240.328	1.959	0	30	BDAC	
Cc1ccc(Cl)c(S(=O)(=O)O)c1	6070686	ZZKWWRXVSXCBIU-UHFFFAOYSA-N	206.650	1.895	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H](F)C(=O)[C@H](F)C1	222017916	MWKMVSDVUBMEKD-RNFRBKRXSA-N	235.230	1.482	0	30	BDAC	
Cn1cc(-c2nc3ccccn3c2N)cn1	74923663	SPYFOGBTBUENRR-UHFFFAOYSA-N	213.244	1.317	0	30	BDAC	in-vitro
COC(=O)[C@H]1C(F)(F)C12CCC(C(=O)O)CC2	2265384918	HEKCAHNGFSSPFV-PRZNWYJVSA-N	248.225	1.686	0	30	BDAC	
C[C@H](CC(=O)O)c1ccc2cncnn12	107374369	FWOJPMYAUOQNNZ-SSDOTTSWSA-N	205.217	1.308	0	30	BDAC	
CC(=O)N[C@@H](C)Cc1ccc(CO)cc1	143429182	MJJLKVBFIZUNJB-VIFPVBQESA-N	207.273	1.246	0	30	BDAC	
CCOC(=O)c1ncn2cc(F)ccc12	238284611	MQDSAPVUDGWACP-UHFFFAOYSA-N	208.192	1.650	0	30	BDAC	
Cc1noc(COc2ccc(C(=O)O)cn2)n1	616583191	XNIORTJPUKQEOI-UHFFFAOYSA-N	235.199	1.050	0	30	BDAC	
COc1cccc(CC2=NOC[C@H]2C(=O)O)c1	33945706	HFADDMXWPKCRRJ-SNVBAGLBSA-N	235.239	1.325	0	30	BDAC	
COc1ccc(N)cc1N1CCN(C)CC1	2576289	NGRRREPRVBZRID-UHFFFAOYSA-N	221.304	1.029	0	30	BDAC	
CC(C)(C)OC(=O)N1CCN[C@](C)(C2CC2)C1	958719680	YUTLMPCHAWLGFL-ZDUSSCGKSA-N	240.347	1.995	0	30	BDAC	
CCN(C(=N)N)c1cc(C)cc(CN)c1	39105543	AZMOSDLFDVSPNW-UHFFFAOYSA-N	206.293	1.173	0	30	BDAC	
CC(C)(C)OC(=O)N1CCS[C@@H](CCO)C1	584883088	SPRGPNAJDMIWRN-VIFPVBQESA-N	247.360	1.721	0	30	BDAC	
CN1C(O)=NS(=O)(=O)c2cc(Cl)ccc21	15444360	JIJQUHAXUWATKU-UHFFFAOYSA-N	246.675	1.393	0	30	BDAC	
CC(C)[C@@H]1OC(=O)[C@@H](C(C)C)N(C)C1=O	32227100	ZVVKRSSQGWOPIS-BDAKNGLRSA-N	213.277	1.051	0	30	BDAC	
CC(C)S(=O)(=O)Nc1cccc(C(=O)O)c1	37657394	NLNPMQYZTCVRSB-UHFFFAOYSA-N	243.284	1.535	0	30	BDAC	
CCOC(=O)C=C(C)I	2265291699	LTFHTHBCTYXEAD-UHFFFAOYSA-N	240.040	1.888	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H](CO)CC1CC1	150084260	RFVQRCOBBCPFEL-SECBINFHSA-N	215.293	1.672	0	30	BDAC	
NCC1(S(=O)(=O)c2ccccc2)CCCC1	32629204	DRVCFAGQAUYLOO-UHFFFAOYSA-N	239.340	1.732	0	30	BDAC	
CC(C)CCc1ncc2c(n1)CCNC2	132187276	WSTDTQJOCGECKK-UHFFFAOYSA-N	205.305	1.711	0	30	BDAC	
CCOC(=O)Cc1nn(C)c2ccccc12	90471136	DPDDSVCYYHLMFL-UHFFFAOYSA-N	218.256	1.679	0	30	BDAC	
O=C(O)c1ccc(-c2cc(=O)o[nH]2)cc1	219974016	NOXDENOBLWNTCL-UHFFFAOYSA-N	205.169	1.333	0	30	BDAC	
c1ccc(CNc2ncnc3c2NCN3)cc1	5933515	VCFTZBXEGUKNCA-UHFFFAOYSA-N	227.271	1.884	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2C(CN)[C@H]2C1	103828207	BZUMXXCFQUZQAV-RKDXNWHRSA-N	212.293	1.058	0	30	BDAC	
COC(=O)[C@@]1(N)Cc2ccc(Cl)cc2C1	118825111	XMVOCEJOLINZPJ-LLVKDONJSA-N	225.675	1.309	0	30	BDAC	
O=C(O)c1nc(Br)n2c1CCC2	2265385693	FEBGOORZVXIIAT-UHFFFAOYSA-N	231.049	1.290	0	30	BDAC	
CC1(C)CN(C(N)=O)CCc2ccccc21	656539946	ANCHOXYFHTWTEE-UHFFFAOYSA-N	218.300	1.901	0	30	BDAC	
CCOC(=O)c1c(C=O)ccc2c1OCO2	21300113	FYGHEHXHPSPGQI-UHFFFAOYSA-N	222.196	1.405	0	30	BDAC	
NNc1cccc(F)c1Br	34362127	IQCQHYHAUFEGHK-UHFFFAOYSA-N	205.030	1.874	0	30	BDAC	
CN1CCCN(c2ccc(F)cc2CN)CC1	37236452	UMNDSYHROMJYFJ-UHFFFAOYSA-N	237.322	1.426	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H](N)Cc1ccncc1	136854330	NJVCJKBLTKHDAF-JTQLQIEISA-N	222.288	1.293	0	30	BDAC	
C[C@H](CC(=O)O)CC(C)(C)CC(=O)O	96327046	UNAXSEGJPQJPSR-SSDOTTSWSA-N	202.250	1.988	0	30	BDAC	
CO[C@@H]1C[C@@H](N)CC[C@@H]1NC(=O)OC(C)(C)C	144761591	HOBKKRZRCCJJSZ-LPEHRKFASA-N	244.335	1.406	0	30	BDAC	
O=C(O)c1cc2c(cc1[N+](=O)[O-])OCCCO2	36924226	WJJGEOWHQUZVBK-UHFFFAOYSA-N	239.183	1.454	0	30	BDAC	in-vitro
O=C(O)[C@H](F)c1nc(F)c(F)cc1F	2265384617	BEWHOCLRAYSPKG-SCSAIBSYSA-N	209.098	1.594	0	30	BDAC	
c1ccc(CN2C[C@H]3CNCC[C@@H]32)cc1	84238092	IKSVZAZIOXSKBR-OLZOCXBDSA-N	202.301	1.480	0	30	BDAC	
Clc1ccc(-c2nnc3n2CCNC3)cc1	53709735	YZFSAVBEAKTNOO-UHFFFAOYSA-N	234.690	1.702	0	30	BDAC	
CCOc1nsnc1C1=CCCNC1	34493601	WCJPIRVYBXBRCS-UHFFFAOYSA-N	211.290	1.314	0	30	BDAC	
CCC[C@@H](CCCS(C)(=O)=O)C(=O)O	63016207	LJOHFKJLNBRWDW-QMMMGPOBSA-N	222.306	1.312	0	30	BDAC	in-vitro
CCOC(=O)Cc1nc2ccc(OC)cc2[nH]1	89065344	FWZHEKIYOSUUEX-UHFFFAOYSA-N	234.255	1.677	0	30	BDAC	
O=Cc1c(F)ccnc1Br	238573036	CIWMGLSIEIKHBK-UHFFFAOYSA-N	203.998	1.796	0	30	BDAC	
CCOc1ccc(-c2cn(C3CNC3)nn2)cc1	95829371	YBEDPCKLIGBEMB-UHFFFAOYSA-N	244.298	1.488	0	30	BDAC	
O=C(O)[C@H]1[C@H]2C[C@H](c3ccccc32)[C@H]1C(=O)O	2530982	FMDJPIDUSFJPFC-DTIDVZRVSA-N	232.235	1.673	0	30	BDAC	
COC(=O)C[C@@H]1CCc2ccccc2N1	34061623	HDPKJUKZQOPEOF-JTQLQIEISA-N	205.257	1.976	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H](CO)C(F)(F)F	34285694	RTJICTSWXPIQIQ-RXMQYKEDSA-N	229.198	1.434	0	30	BDAC	
COC(=O)c1cc(-c2ccc(N)cc2)on1	83161220	XULJLILNTDEXTM-UHFFFAOYSA-N	218.212	1.710	0	30	BDAC	
COC(=O)C(=O)CC(=O)c1cccc(F)c1	101969868	CKMBAGZJMKIHIV-UHFFFAOYSA-N	224.187	1.141	0	30	BDAC	
CNC(=O)Oc1cc(C)c(NC=O)c(C)c1	2023789	JIYAGTDSFMORMI-UHFFFAOYSA-N	222.244	1.590	0	30	BDAC	
CC(=O)OCc1cccc(Br)n1	114898094	GWQUDVZQAICSQN-UHFFFAOYSA-N	230.061	1.907	0	30	BDAC	
O=C(O)Cn1cncc1-c1ccccc1	82655886	PRYVXCDSINTIBL-UHFFFAOYSA-N	202.213	1.635	0	30	BDAC	in-vitro
CN[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1	95347656	WZYNYEJNHUTUMN-TZMCWYRMSA-N	234.343	1.495	0	30	BDAC	in-vitro
Ic1ccnc2ccnn12	221902433	NKNFAJHOXKRJJK-UHFFFAOYSA-N	245.023	1.334	0	30	BDAC	
CNC1Cc2c(OC)ccc(OC)c2C1	27979345	SILRPYONGVNTMW-UHFFFAOYSA-N	207.273	1.390	0	30	BDAC	
COC(=O)c1ccc(NC2CCN(C)CC2)o1	299805192	CCLHFHDCODEKLU-UHFFFAOYSA-N	238.287	1.572	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2CCCN[C@H]2C1	82327503	ZWEWOQJWNGDMHO-QWRGUYRKSA-N	240.347	1.995	0	30	BDAC	
CCOC(=O)[C@H](N)[C@H](C)c1ccc(O)cc1	260904132	IHTIEUMAABDZSF-LDYMZIIASA-N	223.272	1.386	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C(=O)S2	34557664	NRGHTFYSJLCXHO-BQBZGAKWSA-N	229.301	1.638	0	30	BDAC	
CCc1cnc(N2CCC(O)CC2)nc1	96675166	KZGKADVGVHLURS-UHFFFAOYSA-N	207.277	1.000	0	30	BDAC	
CC(C)n1cc(I)nn1	2265378602	CLTHJWSYBBIHQZ-UHFFFAOYSA-N	237.044	1.464	0	30	BDAC	
c1ccc2[nH]c(CC3=NCCN3)nc2c1	34353926	UHIDQXKUJDEFGD-UHFFFAOYSA-N	200.245	1.107	0	30	BDAC	
CC(=O)N1C(=O)C(C)(C)CN1c1ccccc1	32156206	XWKAZXKJYHZGAI-UHFFFAOYSA-N	232.283	1.823	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC[C@@H](NN)CC1	216422877	UVJNRYODEFAKAP-SECBINFHSA-N	229.324	1.239	0	30	BDAC	
O=C1OCCC1(Br)Br	5134251	KGDUHXZTEOESSN-UHFFFAOYSA-N	243.882	1.419	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CNC[C@@H]2C1	250595807	RBDAMENQASWZDZ-ILWJIGKKSA-N	226.320	1.509	0	30	BDAC	
CN(Cc1ccncn1)C(=O)OC(C)(C)C	306857514	ZXTZYYUFOCGFGX-UHFFFAOYSA-N	223.276	1.844	0	30	BDAC	
C[C@]1(C(=O)O)Cc2cc(Cl)ccc2C(=O)O1	125320599	VXFZEWMXIYWKSW-LLVKDONJSA-N	240.642	1.896	0	30	BDAC	
N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1	42582141	QQMTUQTWFLOFJS-ZCFIWIBFSA-N	228.654	1.543	0	30	BDAC	
COc1cc(Br)cnc1CN	238458216	BPMZDHQFIWMNCG-UHFFFAOYSA-N	217.066	1.311	0	30	BDAC	
Cc1cc(C)n2nc(Br)nc2n1	408838	RZBMEMUKZHCDIF-UHFFFAOYSA-N	227.065	1.504	0	30	BDAC	in-vitro
CCCOC(=O)[C@@H](N)Cc1ccccc1	32142753	ZQFRXVDPMWSCHZ-NSHDSACASA-N	207.273	1.510	0	30	BDAC	
NC(=O)CCSc1ccc(CC(=O)O)cc1	82990749	BSCXMUAGWHABSC-UHFFFAOYSA-N	239.296	1.281	0	30	BDAC	
COC(=O)c1cccc2c1C(C)(C)CNC2	91351959	MCIQHCXPHBZEEV-UHFFFAOYSA-N	219.284	1.854	0	30	BDAC	
N[C@H]1CCN(c2cc(Cl)nc(Cl)n2)C1	1535538980	VWXWFSPIZCVEEP-YFKPBYRVSA-N	233.102	1.321	0	30	BDAC	
COC(=O)[C@H]1OCCc2c(O)cccc21	2265383631	GWWXNTHEVXHMFX-JTQLQIEISA-N	208.213	1.179	0	30	BDAC	
COC(=O)c1nn(-c2ccc(F)cc2)ccc1=O	123154	XOEQMUBBWSTKAL-UHFFFAOYSA-N	248.213	1.158	0	30	BDAC	
CC(C)CNCc1ccc(S(C)(=O)=O)cc1	44474247	PGSBGJUPRJMHON-UHFFFAOYSA-N	241.356	1.836	0	30	BDAC	in-vitro
O=C1CCCCCNC(=O)CCCCCN1	3869184	HERSSAVMHCMYSQ-UHFFFAOYSA-N	226.320	1.353	0	30	BDAC	biogenic,in-vitro
COCCN1CCCc2sc(C(=O)O)nc21	498045217	BZLHCYXMDGZLIT-UHFFFAOYSA-N	242.300	1.240	0	30	BDAC	
NC(=S)Nc1ccc2ncsc2c1	45235938	VNTAMSUZHCDFFP-UHFFFAOYSA-N	209.299	1.952	0	30	BDAC	
NC[C@H](O)c1ccc(C(F)(F)F)nc1	95642479	MVMREPVBWAFDRE-LURJTMIESA-N	206.167	1.093	0	30	BDAC	
CCCN1CCc2c(N)sc(N)c2C1	22001270	RUDWASKCQMKNHV-UHFFFAOYSA-N	211.334	1.681	0	30	BDAC	in-vitro
COC(=O)C[C@H](N)c1ccc(C)cc1F	95638395	KABFMVKTHYFOEE-JTQLQIEISA-N	211.236	1.697	0	30	BDAC	
CCOC(=O)[C@@]1(c2ccccc2)CCO1	260423472	NUWGDQUAHXIORD-LBPRGKRZSA-N	206.241	1.865	0	30	BDAC	
COC(OC)c1ccnn1-c1ccccn1	72190443	JNDWUMRXFAUHEO-UHFFFAOYSA-N	219.244	1.559	0	30	BDAC	
C[C@@H]1CNC[C@@H](C)C1NC(=O)OC(C)(C)C	143236108	BQMDYVTYDQVROM-RKDXNWHRSA-N	228.336	1.755	0	30	BDAC	
CCOC(=O)[C@@H](N)CC1CC(F)(F)C1	383400605	RZKDREAOPBUPHK-ZETCQYMHSA-N	207.220	1.312	0	30	BDAC	
O=C(O)[C@@H]1CNC[C@H]1Cc1ccccc1	68949470	WBKQOGGSUVALRM-GHMZBOCLSA-N	205.257	1.149	0	30	BDAC	
CC(C)(C)OC(=O)NCCC1(CO)CC1	306883122	ONDZGGHOZJMCDX-UHFFFAOYSA-N	215.293	1.674	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CCCC12CNC2	1554770397	BAVZQYGRHJQYDC-SECBINFHSA-N	226.320	1.653	0	30	BDAC	
CC1(C)C[C@H]1Nc1nnccc1C(=O)O	87615941	YEFDLKWHOIZCGT-SSDOTTSWSA-N	207.233	1.385	0	30	BDAC	
Cc1ccccc1-n1ccc(C(=O)O)n1	36666770	DBUFGLULXNKLMX-UHFFFAOYSA-N	202.213	1.879	0	30	BDAC	
NC(=S)N(Cc1ccccc1)C1CC1	39124789	RXXHRXYRWHBVBN-UHFFFAOYSA-N	206.314	1.895	0	30	BDAC	
O=Cc1cc2c(=O)[nH]cc(Br)c2o1	96987763	FUTNRFCTJWUVSJ-UHFFFAOYSA-N	242.028	1.696	0	30	BDAC	in-vitro
C[C@H]1CNc2c(Br)cnn2C1	235699447	QDSIAZKQKXQTAI-YFKPBYRVSA-N	216.082	1.707	0	30	BDAC	
Nc1cccc(-c2noc([C@H]3CCOC3)n2)c1	48628432	HLULASBAAAEZMB-VIFPVBQESA-N	231.255	1.823	0	30	BDAC	in-vitro
O=C(O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F	68949409	BZKNJKWNSIUCCI-DTWKUNHWSA-N	227.210	1.352	0	30	BDAC	
CC(C)(C)OC(=O)C[C@@H](O)C(=O)OC(C)(C)C	90160434	GINKKVHSVSLTAV-MRVPVSSYSA-N	246.303	1.421	0	30	BDAC	
C[C@@H]1CCN[C@H](C)[C@@H]1NC(=O)C(F)(F)F	238853828	LGJUIJNHRURUAE-FSDSQADBSA-N	224.226	1.051	0	30	BDAC	
O=c1nc(NCc2ccccc2)c([N+](=O)[O-])c[nH]1	238790094	JYGZVFLBLKEOMT-UHFFFAOYSA-N	246.226	1.290	0	30	BDAC	
Cc1cccc(N([C@@H](C)CO)[C@@H](C)CO)c1	5161085	JNTBFQGTGSKVPY-RYUDHWBXSA-N	223.316	1.563	0	30	BDAC	
O=C(C[C@H]1CCNC1)NCc1ccsc1	84383440	SWHYLXISWFKTGI-SECBINFHSA-N	224.329	1.364	0	30	BDAC	
CN(C)c1nc2ccccc2c(=O)s1	74687	MNLWKDCGEIKJEI-UHFFFAOYSA-N	206.270	1.723	0	30	BDAC	
O=C(Cc1n[nH]cnc1=O)c1ccc(Cl)cc1	174120	ADWGJFNFTFCBNL-UHFFFAOYSA-N	249.657	1.244	0	30	BDAC	
COC(=O)[C@H](N)Cc1ccc(OC(F)F)cc1	25337715	KBBVNSUCEDGBFZ-SECBINFHSA-N	245.225	1.331	0	30	BDAC	
CC(=O)N(C(N)=S)c1ccc(Cl)cc1	34172688	ZCCZRSOUYOJQAL-UHFFFAOYSA-N	228.704	1.937	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CNCC[C@H]21	148006787	AEQQHYBIUSFPDQ-IWSPIJDZSA-N	212.293	1.119	0	30	BDAC	
O=[S@](O)c1cc(C(F)(F)F)ccn1	1554655949	COXXKOCYSJSDSN-UHFFFAOYSA-N	211.164	1.681	0	30	BDAC	
COc1cccc(N2N=C(C(=O)O)CCC2=O)c1	131521679	JAPYNYNTPZMALC-UHFFFAOYSA-N	248.238	1.263	0	30	BDAC	
Cc1cc(N2C(=O)c3ccccc3C2=O)n(C)n1	148549	XEAXUGRNFCLIHJ-UHFFFAOYSA-N	241.250	1.529	0	30	BDAC	
N[C@@H]1CCc2nc(C(F)(F)F)cn2C1	70626508	URZOYUGHEWNMFZ-RXMQYKEDSA-N	205.183	1.175	0	30	BDAC	
COC(=O)CCN(CCO)c1ccccc1	85823056	NOPPMVJONOQUMT-UHFFFAOYSA-N	223.272	1.048	0	30	BDAC	
CCNCCc1ccc(OC)c(OC)c1	11755862	HRNUZLNPJAFQML-UHFFFAOYSA-N	209.289	1.856	0	30	BDAC	
CN[C@H](C)CN(C)C(=O)OC(C)(C)C	259376430	QZTAKDJJHFEZRQ-MRVPVSSYSA-N	202.298	1.461	0	30	BDAC	
COC(=O)CCCCc1cc(O)cc(O)c1	34223664	DJYFPGPIJHKWEQ-UHFFFAOYSA-N	224.256	1.984	0	30	BDAC	
CNC[C@@H](O)c1ccccc1Br	55027401	DBBJLKHXJXCZPP-SECBINFHSA-N	230.105	1.702	0	30	BDAC	in-vitro
Cc1cccc(-n2nc(C)c(N)c2O)c1	100269380	UIHSLSXWKLAILU-UHFFFAOYSA-N	203.245	1.777	0	30	BDAC	
N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12	100914621	AZKBNPLDOBTBBR-RDBSUJKOSA-N	216.328	1.856	0	30	BDAC	
N[C@H](C(=O)O)c1cc(F)cc(C(F)(F)F)c1	72196489	GPCWMBICDBHTFV-ZETCQYMHSA-N	237.152	1.929	0	30	BDAC	
O=S(=O)(c1ccccc1S)C(F)F	35355309	MYISTYQAEPJVRQ-UHFFFAOYSA-N	224.253	1.972	0	30	BDAC	in-vitro
O=c1[nH]c2c(N3CCCC3)cccc2o1	39401239	JZDRLXMDOOLZCG-UHFFFAOYSA-N	204.229	1.721	0	30	BDAC	
O=C(O)[C@H]1[C@@H]2C[C@H]1CN(Cc1ccccc1)C2	100645555	APXGFMMJKBKCDE-ITGUQSILSA-N	231.295	1.839	0	30	BDAC	
C[C@H](O)CNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	102934221	XKFOGPZJONXOKW-XKNYDFJKSA-N	228.361	1.020	0	30	BDAC	
CCOC(=O)c1cc(=O)[nH]c2ccncc12	381566339	SRNXUAIIIRGGIQ-UHFFFAOYSA-N	218.212	1.100	0	30	BDAC	
Nc1cc(F)c(Br)nc1C(=O)O	88190169	XJCGNMVYWONXCU-UHFFFAOYSA-N	235.012	1.264	0	30	BDAC	
N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1	253178997	AGSIJZVQLSIIIW-XYPYZODXSA-N	205.257	1.467	0	30	BDAC	
COC(=O)/C(=C\c1ccncc1)CC(=O)O	1774020909	IKCLYWWCRHCNMM-TWGQIWQCSA-N	221.212	1.113	0	30	BDAC	
CC1(O)CCN(c2cc(Cl)ncn2)CC1	88023598	NOXJCEZIGJIHOW-UHFFFAOYSA-N	227.695	1.481	0	30	BDAC	in-vitro
C=CC(=O)NCc1ccc(CNC(=O)C=C)cc1	114476255	UBSHNWREEBVRHA-UHFFFAOYSA-N	244.294	1.291	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1C[C@H]([S@](C)(=N)=O)C1	2265360030	CVLPYAJJSRUPPS-MDZKRCCYSA-N	248.348	1.719	0	30	BDAC	
O=C(Nc1ccc2nonc2c1)N1CCOCC1	171101	IWBRBVTYBSYUFS-UHFFFAOYSA-N	248.242	1.087	0	30	BDAC	
NC(=O)[C@]1(c2ccc(Cl)cc2Cl)CO1	2015111	BSUVNHZVLSEXMX-SECBINFHSA-N	232.066	1.704	0	30	BDAC	
Cn1nc(C2CCOCC2)nc1Br	1535640489	NAYDNOYTSCLZDF-UHFFFAOYSA-N	246.108	1.472	0	30	BDAC	
COc1cc(Cl)ccc1[C@@H](N)CO	82913451	LDQXBBXUWXPXFE-QMMMGPOBSA-N	201.653	1.341	0	30	BDAC	
COC[C@]1(C(=O)OC(C)(C)C)CCCNC1	725242638	PJBMOVBTDXMMOH-LBPRGKRZSA-N	229.320	1.344	0	30	BDAC	
Cn1nc(C(=O)O)c(C(F)(F)F)c1Cl	675050756	TXMMNVPVBDIUIH-UHFFFAOYSA-N	228.557	1.791	0	30	BDAC	
CN(C)C=C1N=C(c2ccccc2)OC1=O	12479364	GZJKBFRZBMYLAV-UHFFFAOYSA-N	216.240	1.393	0	30	BDAC	
O=C(O)c1cc(-n2cc[nH]c2=O)ccc1Cl	231931750	VJVNDUKCMJUIKN-UHFFFAOYSA-N	238.630	1.517	0	30	BDAC	
C[C@@H](N)CNC(=O)OCc1ccccc1	39952285	HVQKTRVTQIMUEL-SECBINFHSA-N	208.261	1.260	0	30	BDAC	
COC(=O)C12CC(C1)[C@@H](c1ccccc1)N2	2265384990	NXCARRFIKXYKDK-QWKFWESOSA-N	217.268	1.653	0	30	BDAC	
CC(C)NC[C@@H](O)COc1cccc2c1CC=C2	3627432	SAWHVYHGMYAXLH-CYBMUJFWSA-N	247.338	1.994	0	30	BDAC	in-man
Cn1c(-c2ccc(O)nn2)nc2ccccc21	54930829	ODPWGMORGAUJRP-UHFFFAOYSA-N	226.239	1.736	0	30	BDAC	
C[C@@H]1CC[C@@H](C)[C@@H](OC(=O)NC(N)=O)C1	396136776	ACPDZVZIAYCDIN-PRJMDXOYSA-N	214.265	1.616	0	30	BDAC	
CCOC(=O)C1=CC=CN2C(Cl)=CN[C@@H]12	100057697	DKBXSZXCQBIZDE-SECBINFHSA-N	226.663	1.272	0	30	BDAC	
CC(=O)N1CC(N(C)C(=O)OC(C)(C)C)C1	217358323	OFMKXURXVIMTMC-UHFFFAOYSA-N	228.292	1.084	0	30	BDAC	
COc1ccc2c(c1OC)CC[C@@H](N)C2	2016171	BDHOUGWYKHSPIX-SECBINFHSA-N	207.273	1.520	0	30	BDAC	
CCS(=O)(=O)c1ccc([C@H](C)N)cc1	3705661	PECBAIJATAJPMN-QMMMGPOBSA-N	213.302	1.500	0	30	BDAC	in-vitro
O=C(O)CCCCCCC[C@H](O)C(=O)O	5113157	LPIOYESQKJFWPQ-QMMMGPOBSA-N	218.249	1.247	0	30	BDAC	endogenous,in-man
CC(=O)Nc1ccc(/C=C2\N=C(C)OC2=O)cc1	4693642	GRRNSDRNCHSERH-GHXNOFRVSA-N	244.250	1.961	0	30	BDAC	
COc1cccc2c1C[C@H](C(=O)O)CC2=O	34217478	LSQIHMSZPPGOBE-ZETCQYMHSA-N	220.224	1.525	0	30	BDAC	
FC(F)(F)c1nc([C@@H]2CCNC2)no1	238514832	AJSCIRGSDMDARP-SCSAIBSYSA-N	207.155	1.165	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](O)C12CCC2	390822125	HGNCHMUMZPIMGE-VIFPVBQESA-N	227.304	1.911	0	30	BDAC	
CC(C)(C)OC(=O)NCCCC(N)=S	39094174	BQTYLUDDRSTBRV-UHFFFAOYSA-N	218.322	1.577	0	30	BDAC	in-vitro
CC(=O)C[C@H](C)NC(=O)OC(C)(C)C	39091342	LINWYTPTURMUAO-ZETCQYMHSA-N	201.266	1.879	0	30	BDAC	in-vitro
CNc1ccc(OCC(=O)OC)c(C)c1	39105748	NXFARJRZILLHIX-UHFFFAOYSA-N	209.245	1.589	0	30	BDAC	
NCCC(O)(C(F)(F)F)C(F)(F)F	107469809	WJWQHPVACSJVMG-UHFFFAOYSA-N	211.105	1.191	0	30	BDAC	in-vitro
COc1ccc(OC)c(C2CC(N)C2)c1	87199446	BXTDFNBKTSOHNU-UHFFFAOYSA-N	207.273	1.909	0	30	BDAC	
FC(F)Oc1cnc(Br)nc1	575601532	GZMONHRHGRBECD-UHFFFAOYSA-N	224.992	1.841	0	30	BDAC	
O=C1C=C[C@H]2CO[C@@H](c3ccccc3)N12	34353825	GYAPIMIROZBAGG-JQWIXIFHSA-N	201.225	1.482	0	30	BDAC	in-vitro
O=C1OC2(CCC(C(=O)O)CC2)c2cnccc21	34619413	PJCKCWRHRYXELD-UHFFFAOYSA-N	247.250	1.722	0	30	BDAC	
COc1ccc(N2CCC(=O)CC2=O)cc1	86475901	RSXNYWDYOOQHHZ-UHFFFAOYSA-N	219.240	1.391	0	30	BDAC	in-vitro
COC(=O)C[C@@H]1C(=O)C[C@@H]1OC(C)(C)C	1535543640	MFZVZUCYJXGXED-APPZFPTMSA-N	214.261	1.322	0	30	BDAC	
CCO[C@@H]1OC[C@H](CN2CCCCC2)O1	39100117	GYUMUEVTCOICOW-WDEREUQCSA-N	215.293	1.208	0	30	BDAC	
CC(C)(C)OC(=O)NCCC1COC1	238136753	KPVLDDMFJYUBFN-UHFFFAOYSA-N	201.266	1.548	0	30	BDAC	
N[C@@H](C(=O)O)c1cnn(Cc2ccccc2)c1	76135442	NIJOKDMQHOUQPD-LLVKDONJSA-N	231.255	1.016	0	30	BDAC	
COC(=O)c1cc2cc3c(cc2[nH]1)OCO3	98180706	SLIFSOJGHOSHKP-UHFFFAOYSA-N	219.196	1.683	0	30	BDAC	
CCO[C@H]1OC[C@@H](CN2CCCCC2)O1	39100122	GYUMUEVTCOICOW-MNOVXSKESA-N	215.293	1.208	0	30	BDAC	
CCOC(=O)c1cn2c(C)csc2n1	39278249	PHRNIFUPIWVNOK-UHFFFAOYSA-N	210.258	1.881	0	30	BDAC	
CCCCCCc1c(N)nc(N)nc1N	33611521	RLGBSGOJEYAKKB-UHFFFAOYSA-N	209.297	1.346	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@H]2C(=O)C[C@H]21	202666991	PJADABYYIMBUQR-JGVFFNPUSA-N	211.261	1.585	0	30	BDAC	
Clc1ccc(-n2nnnc2-c2ccno2)cc1	121748	LLTRBEDGTVKGDI-UHFFFAOYSA-N	247.645	1.971	0	30	BDAC	
COC(=O)[C@@H]1CC[C@@H](C(F)(F)F)CN1	307641038	ICPGSLGKPXNNJN-RITPCOANSA-N	211.183	1.090	0	30	BDAC	
CCCn1ccnc1CCC(=O)OCC	85491054	GVKXFVKVMSZBED-UHFFFAOYSA-N	210.277	1.789	0	30	BDAC	in-vitro
Oc1nccn2c(Br)ccc12	108328501	CJZLWXFTZXECJV-UHFFFAOYSA-N	213.034	1.802	0	30	BDAC	
COc1cccc2c1C[C@@H](C(=O)O)CC2=O	34217479	LSQIHMSZPPGOBE-SSDOTTSWSA-N	220.224	1.525	0	30	BDAC	
CC(=O)Oc1ccc(S(C)(=O)=O)cc1	72576921	VEGHHCSTOWIVFF-UHFFFAOYSA-N	214.242	1.015	0	30	BDAC	
O=S1(=O)CCCC=C1C(F)(F)F	725268764	WIUXKRHLYWKTDS-UHFFFAOYSA-N	200.181	1.641	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)O)CO1	685939206	VCKWPYNMUCRUHV-HTQZYQBOSA-N	245.275	1.001	0	30	BDAC	
NCCc1nc2ccccc2n1[C@H]1CCNC1	75975811	NCSYUJWJZCSRCH-JTQLQIEISA-N	230.315	1.072	0	30	BDAC	
c1cnc(N2CCCC2)c(O[C@H]2CCNC2)c1	216638617	JJXSETYGAHGFNR-NSHDSACASA-N	233.315	1.423	0	30	BDAC	
CC(C)(C)OC(=O)N1CNCC2(CCC2)C1	1535545218	WFCACBJKZUWTQI-UHFFFAOYSA-N	226.320	1.955	0	30	BDAC	
C[C@@H](C(=O)O)c1cn(C)nc1C(F)(F)F	83306710	FHSGBOHKJWBLRB-SCSAIBSYSA-N	222.166	1.627	0	30	BDAC	
Cc1cc(Br)nc(C=O)c1	95761337	NUHSQYZABODZGZ-UHFFFAOYSA-N	200.035	1.965	0	30	BDAC	
CCC#CC[C@H]1C(=O)CC[C@H]1CC(=O)OC	32147056	CZGQTUNUVWDHBM-WDEREUQCSA-N	222.284	1.948	0	30	BDAC	
O=C(O)[C@H]1[C@@H]2C[C@@H](c3ccccc32)[C@@H]1C(=O)O	33369579	FMDJPIDUSFJPFC-VLEAKVRGSA-N	232.235	1.673	0	30	BDAC	
c1cc(Cc2nnc3n2CCNC3)cs1	53709783	PZZRLWVHIWVRGD-UHFFFAOYSA-N	220.301	1.034	0	30	BDAC	
CN(C1CC1)[C@@H](CC(=O)O)C(F)(F)F	62751195	CKXAYTDMSFZWEN-LURJTMIESA-N	211.183	1.486	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2CC(=O)[C@@H]21	199624161	ILMIVCFTQLIRIG-IONNQARKSA-N	211.261	1.585	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@]2(N)CCC[C@@H]12	238115429	TUBKTTUXJKGATN-BXKDBHETSA-N	226.320	1.877	0	30	BDAC	in-vitro
O[C@H]1CCCN[C@H]1CCc1ccccc1	75130781	MEMLNRRWCTXOSH-STQMWFEESA-N	205.301	1.732	0	30	BDAC	
CCOC(=O)C1=C(O)c2cccnc2NC(=O)C1	90463756	OGJJBNMWGOFBKV-UHFFFAOYSA-N	248.238	1.256	0	30	BDAC	
CC(=O)N[C@H](Cc1ccc(C)c(C)c1)C(=O)O	128332	GVNSHLZYIVHHJW-GFCCVEGCSA-N	235.283	1.435	0	30	BDAC	
COCCOCCNc1ccc(C)c(O)c1	33610828	OCNSJNPDSQVAHJ-UHFFFAOYSA-N	225.288	1.776	0	30	BDAC	
O=C1NCCC(=O)c2c(Br)c[nH]c21	36449713	ZKHBJGRWURQUKB-UHFFFAOYSA-N	243.060	1.093	0	30	BDAC	
CC[C@@H]1NC(=O)N(c2cccc(N)c2)C1=O	37460255	JPEMQBLSSBKOKO-VIFPVBQESA-N	219.244	1.104	0	30	BDAC	
O=C(O)[C@H](O)Cc1cccc(C(F)(F)F)c1	76164168	UEGQUJSMWNGHKS-MRVPVSSYSA-N	234.173	1.693	0	30	BDAC	
CC(C)[C@@H](C[C@@H](N)C(=O)O)C(=O)OC(C)(C)C	90760676	ASMHKAHTRGLGKZ-RKDXNWHRSA-N	245.319	1.402	0	30	BDAC	
CC(C)(C)OC(=O)[C@@H]1CC12CCNCC2	312757001	IIFCETPARNFUOW-VIFPVBQESA-N	211.305	1.718	0	30	BDAC	
COC(=O)c1c(C)n[nH]c1-c1snnc1C	13125377	XAWSNHPXHQNVLR-UHFFFAOYSA-N	238.272	1.332	0	30	BDAC	
C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCNC2)O1	669371693	QEFGLKSVHNKOKI-ZFWWWQNUSA-N	246.354	1.639	0	30	BDAC	
CN[C@@H](c1ccc(F)cc1)c1ncccn1	37469164	WSLPYTVJBVFRMG-NSHDSACASA-N	217.247	1.925	0	30	BDAC	in-vitro
COc1cc2c(cc1OC)[C@H](CCO)NCC2	4262563	VIWOJGACEJJOIU-NSHDSACASA-N	237.299	1.273	0	30	BDAC	
NC(=O)c1nc2cccc(Br)c2o1	103440189	FOQXLCOEYFCIJI-UHFFFAOYSA-N	241.044	1.689	0	30	BDAC	
N[C@H]1CCCCN(Cc2ccccc2)C1	38762072	BFRCNVPFOVQZSH-ZDUSSCGKSA-N	204.317	2.000	0	30	BDAC	
C[C@@]12CCC(=O)C[C@H]1CCC21OCCO1	39169470	ASPJLFLVEGLAPQ-MWLCHTKSSA-N	210.273	1.899	0	30	BDAC	
COC(=O)C[C@@H](N)Cc1ccc(F)cc1	74480566	XDHHKEGYDULDQY-JTQLQIEISA-N	211.236	1.259	0	30	BDAC	
NCCCn1sc2ccccc2c1=O	44712543	UORBMPNLYIVOCG-UHFFFAOYSA-N	208.286	1.412	0	30	BDAC	
OCCCNc1nc(Cl)ncc1F	85755009	SVJOHEJZPKKSGS-UHFFFAOYSA-N	205.620	1.063	0	30	BDAC	
CC[C@@H]1CN(CC(C)(C)O)[C@H](CC)CN1	84887782	VACVPDFFRSEHPU-GHMZBOCLSA-N	214.353	1.220	0	30	BDAC	in-vitro
O=C1CC(=O)N[C@H](Cc2ccccc2)C1	98095462	YLBLDOIOPLQRKF-SNVBAGLBSA-N	203.241	1.077	0	30	BDAC	in-vitro
CCOC(=O)c1onc(Br)c1C	259345992	FNZIAEJOXWSHJN-UHFFFAOYSA-N	234.049	1.922	0	30	BDAC	
CCOC(=O)CC(=O)c1ccc(Cl)cn1	87286401	UPCXRWTVYHMKCE-UHFFFAOYSA-N	227.647	1.871	0	30	BDAC	
CC(C)(C)OC(=O)N1CC([C@@H]2CC[C@H]2N)C1	95836137	QNLRPEHTOVOWAR-VHSXEESVSA-N	226.320	1.591	0	30	BDAC	
O=C(O)[C@H]1CS[C@H](C=Cc2ccccc2)N1	2265235828	AVCZCIMDECJOPA-GHMZBOCLSA-N	235.308	1.816	0	30	BDAC	
COc1ccc(CN2CCC=CC2=O)cc1	85224580	IMDWPWYJVWBITN-UHFFFAOYSA-N	217.268	1.984	0	30	BDAC	in-vitro
C[C@H](O)CNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	102934219	XKFOGPZJONXOKW-AATLWQCWSA-N	228.361	1.020	0	30	BDAC	
CCOC(=O)CO[C@@H](C)C(F)(F)F	85421013	MEJDWIQOVZDQPV-YFKPBYRVSA-N	200.156	1.517	0	30	BDAC	
CCCN(C)C[C@H](O)c1cccc(N)c1	1846904	GGRSNVCPKUTJON-LBPRGKRZSA-N	208.305	1.644	0	30	BDAC	
CSCC[C@H](NCC(C)C)C(=O)N(C)C	309082191	RHXDGHZMSSRXBK-JTQLQIEISA-N	232.393	1.442	0	30	BDAC	
COc1c(N)ncc(Br)c1C	214900416	AMIDUJPPFZILJZ-UHFFFAOYSA-N	217.066	1.743	0	30	BDAC	
ClC1(Cl)C[C@@H]1CSC1=NCCN1	141771	FXJBQITWEICODM-RXMQYKEDSA-N	225.144	1.873	0	30	BDAC	
O=C(O)[C@@H](O)Cc1ccc2ccccc2c1	33975567	ZKBPQCNXIPSZNO-LBPRGKRZSA-N	216.236	1.828	0	30	BDAC	
Cn1ccnc1[C@@H](N)c1ccc(F)cc1F	41042399	BMXKPFBLESVBPY-JTQLQIEISA-N	223.226	1.746	0	30	BDAC	
CN(CC(=O)OC(C)(C)C)[C@@H]1CCCNCC1	97139131	GZLPZZYPLDOIBC-LLVKDONJSA-N	242.363	1.402	0	30	BDAC	
CC(C)(C)O[C@@H]1CC(=O)[C@@H]1n1cccn1	238855005	QBWQIUMDPCIVHH-ZJUUUORDSA-N	208.261	1.581	0	30	BDAC	
COc1c(Br)ccnc1F	238413673	IYQOGOPRBGSURN-UHFFFAOYSA-N	206.014	1.992	0	30	BDAC	
COC1(c2nc(C3CC3)no2)CCNCC1	238856341	VRJNQQJXXXFDKW-UHFFFAOYSA-N	223.276	1.172	0	30	BDAC	
COC(=O)[C@@H]1CCC2(CCCCC2)NC1	146885569	YUDFKQNMWGCORO-SNVBAGLBSA-N	211.305	1.862	0	30	BDAC	
CC(C)(C)OC(=O)N1[C@H]2CC(C(=O)O)C[C@H]1C2	2265360058	OTKHJKUNLZISJV-IUCAKERBSA-N	241.287	1.859	0	30	BDAC	
CCOC(=O)[C@@H]1CCC(=O)N[C@H]1C(F)(F)F	261133991	MXJOFEDTZYZRAR-IYSWYEEDSA-N	239.193	1.007	0	30	BDAC	
C[C@](N)(Cc1c[nH]c2ccc(O)cc12)C(=O)O	13527790	QNQKTYDMWUGLPA-LBPRGKRZSA-N	234.255	1.218	0	30	BDAC	
CON(C)C(=O)[C@H]1[C@@H]2C=CC=C[C@@H](O2)[C@H]1C	39110519	KEZHOVOCWJRXPI-CHWFTXMASA-N	223.272	1.152	0	30	BDAC	
O=C(O)[C@]1(c2cccc(Cl)c2)C[C@@H]1CO	132800835	CSOCFUHEHDXTOY-KCJUWKMLSA-N	226.659	1.675	0	30	BDAC	
O=C(O)[C@@H]1CCc2nc(C3CC3)ncc2C1	82368586	SPRNTFAESUUJJW-MRVPVSSYSA-N	218.256	1.544	0	30	BDAC	
N[C@@H](C(=O)O)c1ccc(OCC(F)F)cc1	216730581	PSZSOOOUJSNJBM-SECBINFHSA-N	231.198	1.415	0	30	BDAC	
CC(=O)N[C@H](C)Cc1ccc(CO)cc1	143429351	MJJLKVBFIZUNJB-SECBINFHSA-N	207.273	1.246	0	30	BDAC	
Cc1cccc(C)c1NC(=O)CON(C)C	39110423	QVEPNQIEOBNHEY-UHFFFAOYSA-N	222.288	1.735	0	30	BDAC	
COC(=O)c1n[nH]c2cc(Cl)ncc12	219740365	UDCYZORJQGSQLF-UHFFFAOYSA-N	211.608	1.398	0	30	BDAC	
O=C(O)Cc1cccc(Oc2ncns2)c1	83671863	ZSQJFRUYNUCBLO-UHFFFAOYSA-N	236.252	1.958	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2CC(=O)[C@]21C	238134909	BVODOBNALBQJLO-UFBFGSQYSA-N	225.288	1.975	0	30	BDAC	
O=Cc1ncc(Br)n1C(F)(F)F	257728967	WJNDBLXQULCZRL-UHFFFAOYSA-N	242.982	1.934	0	30	BDAC	
CCCCc1c(COC)[nH]c(=S)[nH]c1=O	18208118	CPILUZFECPOURI-UHFFFAOYSA-N	228.317	1.921	0	30	BDAC	
Nc1cnn(-c2ccncc2)c1C(F)F	85634563	AOSJHRGMVQQTTJ-UHFFFAOYSA-N	210.187	1.787	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@H]2N	91679238	HGLKMYOTFGKEDG-IWSPIJDZSA-N	212.293	1.343	0	30	BDAC	in-vitro
CNC(=O)c1ccc([C@@H]2CCCCN2)n1C	97139112	HTOVMQKSPQJJQH-VIFPVBQESA-N	221.304	1.199	0	30	BDAC	in-vitro
CC[C@@H]1SC[C@H](C(=O)OC)/C1=N/O	39085325	RUCXHNGFLVBCSH-HQWLIYIGSA-N	203.263	1.131	0	30	BDAC	
CNC(=O)Oc1ccccc1C1OCCO1	2029696	SDKQRNRRDYRQKY-UHFFFAOYSA-N	223.228	1.450	0	30	BDAC	biogenic,in-vitro
COc1ccc(OS(C)(=O)=O)cc1OC	136550213	XGTVXFSSAHZPLE-UHFFFAOYSA-N	232.257	1.042	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CC12CC(N)C2	220178064	ISRMYJPUDZEWEQ-KAIZJQOQSA-N	212.293	1.391	0	30	BDAC	
COc1nc(C)cnc1Br	238372857	OXNUWUJJCAWMIA-UHFFFAOYSA-N	203.039	1.556	0	30	BDAC	
COC(=N)CNC(=O)OCc1ccccc1	95642230	XCAXLJYXECNCMI-UHFFFAOYSA-N	222.244	1.536	0	30	BDAC	
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CN	84237636	VPXZKRWMVPGJEQ-UWVGGRQHSA-N	228.336	1.838	0	30	BDAC	
COc1cc(=O)n(C)c2nc(N(C)C)ccc12	31334474	AFKJTHQMVIWPPA-UHFFFAOYSA-N	233.271	1.008	0	30	BDAC	
COc1cc([C@H]2NCCS2)ccc1O	60095389	ARBGBCQCAFWNDH-JTQLQIEISA-N	211.286	1.736	0	30	BDAC	
CCOC(=N)CC(=O)Oc1ccccc1	111397152	UPPLLLGNILNJOR-UHFFFAOYSA-N	207.229	1.996	0	30	BDAC	
Nc1ccnc2c1cnn2[C@@H]1CCCCO1	953080359	BSBALZHONLSTKE-JTQLQIEISA-N	218.260	1.713	0	30	BDAC	
CC[C@@H](CO)NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	102934229	YQMXYJDDIUYATG-XWLWVQCSSA-N	242.388	1.410	0	30	BDAC	
COC(=O)[C@](C)(N)Cc1ccc(Cl)cc1	57517814	RLPQEFRRIIZSJH-LLVKDONJSA-N	227.691	1.773	0	30	BDAC	
CCOc1ccc(N)c(C(=O)OC)c1F	38006684	OSLNIKAAIDRINT-UHFFFAOYSA-N	213.208	1.593	0	30	BDAC	
Cc1ccc(Br)nc1C=O	238540085	ZXIMVXAPHLEBTL-UHFFFAOYSA-N	200.035	1.965	0	30	BDAC	
N=C(NN)c1ccc(Cl)c(Cl)c1	42375170	SBTQMGGODASKEX-UHFFFAOYSA-N	204.060	1.782	0	30	BDAC	in-vitro
COC(=O)C[C@H]1C(=O)C[C@@H]1OC(C)(C)C	1535543642	MFZVZUCYJXGXED-CBAPKCEASA-N	214.261	1.322	0	30	BDAC	
O=C(COC(F)F)OCc1ccccc1	117969653	RYKKJPDBCIAJIB-UHFFFAOYSA-N	216.183	1.969	0	30	BDAC	in-vitro
CCOC(OCC)c1nc(C(=O)O)cs1	226063375	RIWZIGUBEVHWJL-UHFFFAOYSA-N	231.273	1.913	0	30	BDAC	
CCOC(=O)[C@H]1CCc2[nH]nc(C)c2C1	261197548	UVJDRUBLUMOHOR-QMMMGPOBSA-N	208.261	1.386	0	30	BDAC	
CN1C(=O)CC(=S)N(CC2CC2)C1=O	100292750	NHASILQGZHSTHS-UHFFFAOYSA-N	212.274	1.008	0	30	BDAC	
O=C(O)c1ncc(-c2ccccc2)nc1O	75625940	BEXNHBOBDYVGHS-UHFFFAOYSA-N	216.196	1.547	0	30	BDAC	in-vitro
CC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1	39075977	FIFRJJLOOYYYOZ-LBPRGKRZSA-N	217.268	1.767	0	30	BDAC	biogenic
O=C(O)[C@H]1CNC[C@H](c2ccccc2)C1	82162641	XORGFPVZKXBBJZ-GHMZBOCLSA-N	205.257	1.464	0	30	BDAC	
c1ccc([C@@H]2CN[C@H]3CCOC[C@@H]32)cc1	238856561	WGGHLOAPDUROBO-XQQFMLRXSA-N	203.285	1.779	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C	39377639	ZMRUBTHTKGPVHS-RQJHMYQMSA-N	214.261	1.685	0	30	BDAC	
Cc1ccc(F)cc1N1C(=O)C=CC1=O	102575	VAGFRJJEDBRUHE-UHFFFAOYSA-N	205.188	1.564	0	30	BDAC	
N=C(N)[C@H](O)c1ccc(Cl)c(Cl)c1	3627278	JWTHWYUBEYJZHL-SSDOTTSWSA-N	219.071	1.963	0	30	BDAC	
COC(=O)c1ccc(Br)c(NN)c1	238379888	ZXHMYHFZGHUOEB-UHFFFAOYSA-N	245.076	1.521	0	30	BDAC	
c1cc(CN[C@@H]2CN3CCC2CC3)cs1	19946336	HJHRWMPUNMESKC-GFCCVEGCSA-N	222.357	1.932	0	30	BDAC	
c1cnc2cc(OC3CNC3)ccc2c1	229035573	DQWKUAGQTFJTQT-UHFFFAOYSA-N	200.241	1.585	0	30	BDAC	
COC(=O)[C@@H]1C(F)(F)C12CCC(C(=O)O)CC2	2265384917	HEKCAHNGFSSPFV-DSQUFTABSA-N	248.225	1.686	0	30	BDAC	
O=c1[nH]c2ccccc2n1-c1ccncc1	75946583	UVWOQPKLEXKDIE-UHFFFAOYSA-N	211.224	1.714	0	30	BDAC	
C=Cc1ccc(N)c(C(=O)OC)c1OC	39086985	ATDVOTZXYMWUFZ-UHFFFAOYSA-N	207.229	1.707	0	30	BDAC	
COC(=O)Nc1cccnc1C(=O)OC	39084194	QMVDKVJNVBFMAG-UHFFFAOYSA-N	210.189	1.047	0	30	BDAC	
Cc1ccc(S(=O)(=O)N[C@H]2C=CCC2)cc1	39121761	KFHANGVDOOPYBY-NSHDSACASA-N	237.324	1.992	0	30	BDAC	
Nc1cc(Br)cc(C(=O)O)n1	71250786	XBTMDJYIJHDTTG-UHFFFAOYSA-N	217.022	1.125	0	30	BDAC	
COC(=O)C(C(=O)OC)c1ccc(F)cc1	44200071	JWJAHPXFKKPJRD-UHFFFAOYSA-N	226.203	1.255	0	30	BDAC	
C[C@@H](O)Cc1cn(-c2ccccc2)nn1	258549912	HWWBQLZSSLLCEW-SECBINFHSA-N	203.245	1.191	0	30	BDAC	
CCOC(=O)C1CCC(O)(C[C@H]2CO2)CC1	642882394	VRRHBZSACFVUQD-YZRBJQDESA-N	228.288	1.260	0	30	BDAC	
OC[C@@H]1O[C@H]1c1ccc(Br)cc1	6093301	NFJNOLUOXBCBDP-IUCAKERBSA-N	229.073	1.881	0	30	BDAC	
Sc1nnc2nnc3cc(Cl)ccc3n12	133536	TUQVVBUWKLWQEA-UHFFFAOYSA-N	237.675	1.615	0	30	BDAC	
CN(C)C(=O)c1ccc2ncsc2c1	169310	UQFHVAXYCPQSJF-UHFFFAOYSA-N	206.270	1.998	0	30	BDAC	
CC(C)[C@H](NC(=O)c1ccccc1)c1nnn[nH]1	68575446	KOOWKGMZVBVLTH-JTQLQIEISA-N	245.286	1.327	0	30	BDAC	in-vitro
COc1cc(Cl)ccc1[C@@H](N)C(=O)O	75069549	IYONYWMUVILLMS-MRVPVSSYSA-N	215.636	1.433	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1[C@H]2CCNC[C@H]21	148007181	AEQQHYBIUSFPDQ-DJLDLDEBSA-N	212.293	1.119	0	30	BDAC	
CCCC[C@H](CC)CNCCS(=O)(=O)O	33637354	PERNZMXFAMSERD-JTQLQIEISA-N	237.365	1.680	0	30	BDAC	
NCc1nc2ccccn2c1Br	6438318	VRZYMXBZHVXGEQ-UHFFFAOYSA-N	226.077	1.556	0	30	BDAC	
Cc1nc(Cl)c(C(=O)O)nc1Cl	75613745	MZXNLFHYDMBZKT-UHFFFAOYSA-N	207.016	1.790	0	30	BDAC	
CCN=[S@](=O)(NCC)c1ccc(N)cc1	675075485	PJUQRGXZRKQYTI-UHFFFAOYSA-N	227.333	1.640	0	30	BDAC	
CCC(=O)NCC1(c2ccccc2)CCNCC1	33607281	IEYZMSATIKDYOF-UHFFFAOYSA-N	246.354	1.834	0	30	BDAC	
COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC)C2	328579688	WMFVYQIRYBONGU-HRDYMLBCSA-N	227.260	1.026	0	30	BDAC	
N=c1ccccn1C[C@@H](O)c1ccccc1	100247728	RARUKSNTVDEKEY-GFCCVEGCSA-N	214.268	1.701	0	30	BDAC	
COc1ccc(C2=CC=C[C@@H](O)[C@@H]2O)cc1	45805442	GBRSZJBWJYMFPS-CHWSQXEVSA-N	218.252	1.370	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H](Cl)C[C@H]1C(=O)O	35070351	KTIQMTDKFOWAFE-RQJHMYQMSA-N	249.694	1.688	0	30	BDAC	
COc1ccc([C@H]2CC[C@H](C(=O)O)N2)cc1	1665547	NQDZIUKATYIJFZ-GHMZBOCLSA-N	221.256	1.573	0	30	BDAC	
OCCCCN1CCc2ccccc2C1	35649773	HBLNUTCPFINLKN-UHFFFAOYSA-N	205.301	1.817	0	30	BDAC	
CSCCCC(=O)N[C@H](C(=O)O)C(C)C	71541591	LTSSEGHIHMPQQT-VIFPVBQESA-N	233.333	1.355	0	30	BDAC	
CC(C)(C)OC(=O)[C@]1(C(F)(F)F)CCNC1	82557200	WKEARQZAEMUMLL-VIFPVBQESA-N	239.237	1.870	0	30	BDAC	
OCCc1cnc2c(Br)cnn2c1	238853772	KXMWKDHPRHTLOX-UHFFFAOYSA-N	242.076	1.027	0	30	BDAC	
O=C1N[C@@]2(CCN(Cc3ccccc3)C2)CO1	88532547	FIDTWWUXOPNIAZ-CYBMUJFWSA-N	232.283	1.371	0	30	BDAC	
Nc1ccc(NC2=NCCN2)c(Cl)c1	238577866	ZSWLKKJDMAIFNR-UHFFFAOYSA-N	210.668	1.293	0	30	BDAC	
Nc1c(CCO)cccc1C(F)(F)F	2265362166	VLOZCRHJOGATKV-UHFFFAOYSA-N	205.179	1.822	0	30	BDAC	
CN[C@@H]1CCN(c2ccccc2F)C1=O	49647671	LXSCPIWTZCIAIQ-SECBINFHSA-N	208.236	1.150	0	30	BDAC	in-vitro
CC1(C)C[C@@H]1Nc1nnccc1C(=O)O	87615939	YEFDLKWHOIZCGT-ZETCQYMHSA-N	207.233	1.385	0	30	BDAC	
COC(=O)c1cc(N)ccc1OC(F)F	62350384	AWOSXPXMIVSGDT-UHFFFAOYSA-N	217.171	1.657	0	30	BDAC	
O=C(O)CC[C@@H]1CC[C@H](C(F)(F)F)N1	521399055	PLWZSCLEJDASFO-NTSWFWBYSA-N	211.183	1.534	0	30	BDAC	
COC(=O)[C@@H](Cc1ccc(F)cc1)OC	521399589	HSXMJLPDLPFMLO-SNVBAGLBSA-N	212.220	1.556	0	30	BDAC	
CC1CCN(C(=O)OC[C@H]2CCCCN2)CC1	92742888	LJKRCIPDPRHYCW-GFCCVEGCSA-N	240.347	1.997	0	30	BDAC	
CN1CCC(C(=O)O)=C[C@@H]1C1CCCC1	259559412	VJUMCUOATFIQMT-LLVKDONJSA-N	209.289	1.892	0	30	BDAC	
FC(F)(F)c1cnn(C2CCNCC2)c1	70019005	XYNLXIDCXIBCMW-UHFFFAOYSA-N	219.210	1.826	0	30	BDAC	
CC(C)(O)Cc1ccc(C(=O)O)s1	75601635	GACGOYYBOFRKEA-UHFFFAOYSA-N	200.259	1.760	0	30	BDAC	
Nc1cc(Br)ncc1C=O	95761389	DRJIKOFVEUVPSW-UHFFFAOYSA-N	201.023	1.239	0	30	BDAC	in-vitro
O=[N+]([O-])c1ccc([N+](=O)[O-])c2[nH]cnc12	383486307	QRQAGCWSRPQRNK-UHFFFAOYSA-N	208.133	1.379	0	30	BDAC	
CO[C@@]1(C(F)(F)F)CCCN(C(N)=O)C1	681946295	XXXLQUOHKWRYKS-ZETCQYMHSA-N	226.198	1.108	0	30	BDAC	
C[C@@H](COc1ccccc1)OCCCO	6020902	HGMRWDYHWJNAQY-NSHDSACASA-N	210.273	1.853	0	30	BDAC	
O[C@@H]1CCNCc2ccc(Br)cc21	211323761	IZNUDPIETSKKNQ-SNVBAGLBSA-N	242.116	1.976	0	30	BDAC	
CCOC(=O)c1cc2ccncc2c(=O)[nH]1	5884279	WMYRUXRPVMHHKH-UHFFFAOYSA-N	218.212	1.100	0	30	BDAC	
COC(=O)CN[C@H](C)c1ccc(OC)cc1	19885438	BOFJJKVVOMQGIQ-SECBINFHSA-N	223.272	1.519	0	30	BDAC	
CCC[C@@H](C(=O)OCC)n1ccc(N)n1	216485908	ZPCSEXFCQGJANN-QMMMGPOBSA-N	211.265	1.370	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CNC2(CCC2)C1	1536221873	NBIHLULPPBFQIU-SECBINFHSA-N	226.320	1.796	0	30	BDAC	
C[C@@H](Oc1ccc(Cl)cc1CO)C(=O)O	43629813	PQIATGPQELCUPX-ZCFIWIBFSA-N	230.647	1.684	0	30	BDAC	
O=CC(=O)c1ccc(OC(F)(F)F)cc1	95760842	BSHOHADAQXVHOC-UHFFFAOYSA-N	218.130	1.967	0	30	BDAC	
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)N	238357166	SIDVGRIVHQRPIH-ONGXEEELSA-N	207.273	1.366	0	30	BDAC	
NC1(c2ccnc(Br)c2)COC1	95764017	JTKYSUKYLHDJAR-UHFFFAOYSA-N	229.077	1.028	0	30	BDAC	
Cc1ccc2c(c1)CCN(C(=N)NO)C2	39105429	AJOQBOKNPIZYNH-UHFFFAOYSA-N	205.261	1.267	0	30	BDAC	
C[C@H]1N[C@@H](C(Cl)(Cl)Cl)OC1=O	96330680	XAVNMNRLIYJKCK-VVJJHMBFSA-N	218.467	1.218	0	30	BDAC	
C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCNC2)O1	669371692	QEFGLKSVHNKOKI-UKRRQHHQSA-N	246.354	1.639	0	30	BDAC	
CCOC(=O)COc1cccc(C(N)=S)c1	19516003	ZMYWSUWCDQGVES-UHFFFAOYSA-N	239.296	1.263	0	30	BDAC	in-vitro
O=C1N[C@@H]2C[C@@H]2N1C(=O)OCc1ccccc1	136026	MTQBCNWSXOYUJM-ZJUUUORDSA-N	232.239	1.489	0	30	BDAC	
Nc1nc(-c2cccnc2Cl)ns1	306836597	UTKFJMCRUWGHGN-UHFFFAOYSA-N	212.665	1.836	0	30	BDAC	
C=C[C@@H](N[C@@H](C(=O)O)c1ccccc1)C(=O)OC	38611076	XPHXXNDGPZIYJP-GHMZBOCLSA-N	249.266	1.130	0	30	BDAC	
Cc1cc(=O)c2c(ccc3nc[nH]c32)o1	95922419	CZBQBQDGERCFEH-UHFFFAOYSA-N	200.197	1.978	0	30	BDAC	
CNCc1cccc(Cn2cccn2)c1	12370545	RXKBCAGRFVIQTK-UHFFFAOYSA-N	201.273	1.651	0	30	BDAC	in-vitro
CN1CCC=C2c3ccccc3[C@@H](O)[C@@H]21	1853405	YSVNTYMQDHASPW-CHWSQXEVSA-N	201.269	1.821	0	30	BDAC	
O=c1c2cccc(O)c2nc2n1CCCCC2	39124435	IWYVVYCPFPUUEN-UHFFFAOYSA-N	230.267	1.829	0	30	BDAC	
Nc1ccc(N2N=C(C3CC3)CC2=O)nc1	71008860	HKCFSVZOYKRZDQ-UHFFFAOYSA-N	216.244	1.167	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CO)OC1	114195010	LKBZAGUOZDYGKG-DTWKUNHWSA-N	231.292	1.051	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CN[C@]2(CCOC2)C1	1554770678	FGTAOVRUTRYISO-JOYOIKCWSA-N	242.319	1.032	0	30	BDAC	
C[C@@H](CSc1cc(Cl)nc(N)n1)C(=O)O	223486616	XTWUBHKHTPBCML-BYPYZUCNSA-N	247.707	1.525	0	30	BDAC	
Cc1nc2ncnn2cc1Br	95760962	RXKRYWWDMKVXNZ-UHFFFAOYSA-N	213.038	1.195	0	30	BDAC	
CSc1ccc(P(=O)(O)O)cc1	21986996	NEQRNXTVPVGOQR-UHFFFAOYSA-N	204.187	1.212	0	30	BDAC	
O=C(O)Cc1ccc2c(c1)CCCS2(=O)=O	259068750	GQVYVRZERNHHLM-UHFFFAOYSA-N	240.280	1.034	0	30	BDAC	
COC(=O)c1ccc(C=O)c(F)c1F	260013958	FYJMUWOTWLKYGI-UHFFFAOYSA-N	200.140	1.564	0	30	BDAC	
O=c1ncn(CC2CC2)c2ccccc12	98180545	WEHDLUIOQMXNSW-UHFFFAOYSA-N	200.241	1.807	0	30	BDAC	
O=C1CC[C@@H](OCc2ccccc2)CO1	196414248	BLFBSPVPEHAYOY-LLVKDONJSA-N	206.241	1.909	0	30	BDAC	
CCOC(=O)c1nc(N)n(-c2ccccc2)n1	256009008	WJPIJAPGRJJADX-UHFFFAOYSA-N	232.243	1.026	0	30	BDAC	
OC[C@H]1CN(Cc2ccc(F)cc2)CCO1	15019599	UDJLSVQIAWENSE-GFCCVEGCSA-N	225.263	1.019	0	30	BDAC	
O=C1N[C@H]2C[C@@H]2N1C(=O)OCc1ccccc1	100244008	MTQBCNWSXOYUJM-UWVGGRQHSA-N	232.239	1.489	0	30	BDAC	
CN(C)C(=O)C[C@H]1CC(C)(C)[C@]1(C)CO	38302139	ZDONFFPCYDZWQS-JOYOIKCWSA-N	213.321	1.509	0	30	BDAC	
CCO[C@H]1OC[C@H](CN2CCCCC2)O1	39100119	GYUMUEVTCOICOW-QWRGUYRKSA-N	215.293	1.208	0	30	BDAC	
COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC)C2	328579689	WMFVYQIRYBONGU-IWSPIJDZSA-N	227.260	1.026	0	30	BDAC	
O=C1CC(=O)OCC(c2cccs2)CO1	223649331	BDNLYWNJVXQDGS-UHFFFAOYSA-N	226.253	1.322	0	30	BDAC	
CC(C)(C)OC(=O)N1CC=CC[C@H]1CO	114212296	LTMIDZWWNNIEPG-VIFPVBQESA-N	213.277	1.544	0	30	BDAC	
O=C(N[C@@H]1[C@@H]2CN[C@H]1C2)OCc1ccccc1	1535639487	FPINETZHLHKVQZ-SDDRHHMPSA-N	232.283	1.273	0	30	BDAC	
Oc1ccc(O)c2c1[C@@H](O)c1ccccc1[C@H]2O	33506400	ZIKKFAGENVKXRO-OKILXGFUSA-N	244.246	1.575	0	30	BDAC	
O=C(O)[C@@H]1CC2(CCNCC2)c2ccccc21	79031021	GFZQHCJJAVQLAN-LLVKDONJSA-N	231.295	1.880	0	30	BDAC	in-vitro
O=C1CC[C@H](C(=O)OC2CCCCC2)N1	34212821	RFWITBCYXRUGIY-SECBINFHSA-N	211.261	1.141	0	30	BDAC	
CC(C)(ON1C(=O)c2ccccc2C1=O)C(=O)O	34384464	FKFQTPMMDLGZPN-UHFFFAOYSA-N	249.222	1.077	0	30	BDAC	
CC(=O)OC[C@@H]1CCC[C@H]1OC(C)=O	39112788	NXCVHSHZSDNNEB-VHSXEESVSA-N	200.234	1.281	0	30	BDAC	
CN[C@@H]1CCN(C(=O)OC(C)(C)C)CC12CC2	215248950	IUTDTPZAIKVWEE-SNVBAGLBSA-N	240.347	1.995	0	30	BDAC	
C[S@@](=N)(=O)c1ccc(Cl)cc1N	695050179	CVAXOOHBFKGEAR-GFCCVEGCSA-N	204.682	1.958	0	30	BDAC	
O=C(c1ccccc1CO)C(F)(F)F	39055364	GAZACMARZYLTII-UHFFFAOYSA-N	204.147	1.924	0	30	BDAC	in-vitro
O=C1N[C@@H]2SC(COc3ccccc3)=N[C@@H]12	5774629	AOJBXSXDOLCYGD-GXSJLCMTSA-N	234.280	1.035	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@H]1CCCN(C(N)=O)C1	108179959	CTTYGAFTTFBQPX-MRVPVSSYSA-N	243.307	1.054	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1CN[C@]2(CCOC2)C1	1554770676	FGTAOVRUTRYISO-BXKDBHETSA-N	242.319	1.032	0	30	BDAC	
CN(Cc1ccccc1)C1(CN)CCOCC1	36304833	CZZQHEZJEJDJIH-UHFFFAOYSA-N	234.343	1.626	0	30	BDAC	
CSc1cc(F)c(C(=O)O)cc1N	130269301	DXYIOFOKEYUVKM-UHFFFAOYSA-N	201.222	1.828	0	30	BDAC	
C[C@@H]1OCCN(Cc2ccccc2)C1=O	95642768	FJCYRXLDGXUGEV-JTQLQIEISA-N	205.257	1.434	0	30	BDAC	
N[C@@H]1CN(C(=O)Oc2ccccc2)CC12CC2	90411590	ZNEKCVPQWWZGEM-LLVKDONJSA-N	232.283	1.609	0	30	BDAC	
O=C(N[C@@H]1C[C@@H]1O)OCc1ccccc1	142383484	SBIIQLWBTBQKRD-ZJUUUORDSA-N	207.229	1.046	0	30	BDAC	
O=C(O)C=CC(=O)Nc1ccc(F)cc1F	449713	DVBSHLGHHLTWPZ-UHFFFAOYSA-N	227.166	1.544	0	30	BDAC	
O[C@@H]1CCCN(Cc2cnc(Cl)s2)C1	40434237	WMVYMNKGHLAHQK-SSDOTTSWSA-N	232.736	1.753	0	30	BDAC	
COc1cc(OC)cc(C(C)(C)CN)c1	33487061	SSQKEPSVOXKSJN-UHFFFAOYSA-N	209.289	1.940	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(N)=S	141794179	OFGDUYOUGGQWAV-RQJHMYQMSA-N	248.323	1.620	0	30	BDAC	
COc1nc2cn[nH]c2cc1Br	89219750	TZLYQQMYXHAIOQ-UHFFFAOYSA-N	228.049	1.729	0	30	BDAC	
Cc1ccc(Cl)c(S(N)(=O)=O)c1Cl	36666944	ICAASQSIDWYDOR-UHFFFAOYSA-N	240.111	1.949	0	30	BDAC	
COC(=O)c1ccc(N(C)C)cc1C(=O)OC	33506475	IQMSCTLQIWAFDD-UHFFFAOYSA-N	237.255	1.326	0	30	BDAC	
O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCCC1	71792697	VDQJAWYQRNBTCR-ZDCRXTMVSA-N	235.283	1.132	0	30	BDAC	
CCO[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O	143508919	ZQGFRRMJROYVKB-JTQLQIEISA-N	243.303	1.601	0	30	BDAC	
Cn1cc(F)cc(Br)c1=O	575624052	LTCXKECJVVTOOH-UHFFFAOYSA-N	206.014	1.287	0	30	BDAC	
COC(=O)C1(N)C2CC3CC(C2)CC1C3	55026639	PYOLCEFLWZRKCO-UHFFFAOYSA-N	209.289	1.313	0	30	BDAC	
O=C(O)[C@@H](O)c1ccc(O)c(Cl)c1	2584602	VDBWQCRJTMKEMJ-ZETCQYMHSA-N	202.593	1.164	0	30	BDAC	
c1ccc(CN2CCO[C@@]3(CCCNC3)C2)cc1	96964511	PGOTXYBEAXIJQP-OAHLLOKOSA-N	246.354	1.641	0	30	BDAC	
Cn1cc([C@H](O)CNCc2ccccc2)cn1	238854107	MUAUFOGZUXVGBD-CYBMUJFWSA-N	231.299	1.243	0	30	BDAC	in-vitro
O=C(OCc1ccccc1)N1CC[C@H]2NC[C@H]2C1	306766954	XOCOXSQNWAHVPI-QWHCGFSZSA-N	246.310	1.617	0	30	BDAC	
CCc1ccc(C(=O)c2ccncc2)n1N	39101817	AKQLTKBUESDEDD-UHFFFAOYSA-N	215.256	1.390	0	30	BDAC	
N[C@@H](Cc1ccccc1)[C@H](N)C(F)(F)F	47845220	QVVAVUSJVMSJQJ-IUCAKERBSA-N	218.222	1.446	0	30	BDAC	in-vitro
COC(=O)[C@H](O)C1CCC(C)(C)CC1	85445571	CUEDYSVKMGQVSH-SECBINFHSA-N	200.278	1.737	0	30	BDAC	
CCNc1nc(N(CC)CC)[nH]c(=S)n1	5853878	GOUKSYJATNOEID-UHFFFAOYSA-N	227.337	1.812	0	30	BDAC	
Nc1nc(N)c2cc(Br)ccc2n1	5974291	UECFPEVPPFMFOS-UHFFFAOYSA-N	239.076	1.557	0	30	BDAC	
CC(C)COC[C@@H](O)CN1CCCC1	33986153	ZZUOXVBESBSCPQ-NSHDSACASA-N	201.310	1.116	0	30	BDAC	
Cc1cc(C(=O)O)n2nc(C)c(C)c2n1	129098441	LUOPTAUGRZALFJ-UHFFFAOYSA-N	205.217	1.353	0	30	BDAC	
C[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O	96330629	ZZQKEINORXICEN-RKDXNWHRSA-N	243.303	1.193	0	30	BDAC	
O=CN[C@@H](Cc1cccc(Cl)c1)C(=O)O	69553303	KIFYKKHRSGEPKV-VIFPVBQESA-N	227.647	1.082	0	30	BDAC	in-vitro
CSc1ccc([C@]2(N)CCOC2)cc1	521399122	FVMNADLIXXWLNU-NSHDSACASA-N	209.314	1.983	0	30	BDAC	
CCc1onc([C@@H]2CCCOC2)c1C(=O)O	69969406	PUAQTIOSBXHNRK-SSDOTTSWSA-N	225.244	1.829	0	30	BDAC	
CC(C)(C)OC(=O)N[C@]12CCCN[C@H]1C2	238200143	KDYRDBVOOUHWNP-KWQFWETISA-N	212.293	1.406	0	30	BDAC	
NC1(c2ccc(Br)cn2)COC1	215889481	SAHUCPWMPAAOCV-UHFFFAOYSA-N	229.077	1.028	0	30	BDAC	
Cc1nn(C)c(Sc2ccccn2)c1N	36749632	OGUQPUBMOLJLRY-UHFFFAOYSA-N	220.301	1.857	0	30	BDAC	in-vitro
CCCS(=O)(=O)c1ccccc1O	32180079	YIDNFBZERDMZSL-UHFFFAOYSA-N	200.259	1.576	0	30	BDAC	
CC(C)(C)OC(=O)C1(C(=O)O)CCCC1	108275269	WVBLAQSOEXCAPQ-UHFFFAOYSA-N	214.261	1.973	0	30	BDAC	
CN(C)C(=O)[C@@H](F)C(=O)c1ccccc1	1496855	AYDOOGVAQHGSBP-VIFPVBQESA-N	209.220	1.296	0	30	BDAC	
C[C@@H](NC(=O)OC(C)(C)C)C1CNC1	117747747	SJCHHKIVUCVQNJ-SSDOTTSWSA-N	200.282	1.119	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H]2C[C@@]2(N)CC1	1554770428	RLKQLFDFQMMVLZ-CABZTGNLSA-N	226.320	1.735	0	30	BDAC	
Cc1ccc(C(=O)[C@H]2CCC(=O)N2C)cc1	33506657	FAZNFGVZSSOHQE-LLVKDONJSA-N	217.268	1.799	0	30	BDAC	
COC(=O)C[C@@H]1CCc2ccc(O)cc21	201088579	YIWRHLWWRLWQGG-VIFPVBQESA-N	206.241	1.985	0	30	BDAC	
COC(=O)C1(c2ccc(Cl)cc2)CC(O)C1	207241885	JSBZWDOEXUFBTK-UHFFFAOYSA-N	240.686	1.906	0	30	BDAC	
O=C(O)c1nnc(-c2c(F)cccc2F)o1	83323129	RRKYWEKFWZNMRE-UHFFFAOYSA-N	226.138	1.713	0	30	BDAC	
Nc1cc(N)cc(C(=O)NCc2cccnc2)c1	40301991	BVGLECMQARBFOT-UHFFFAOYSA-N	242.282	1.176	0	30	BDAC	in-vitro
COc1ccc(N2CCC[C@@H](N)C2=O)cc1	70061633	GSQOUHCJKCYNPU-LLVKDONJSA-N	220.272	1.149	0	30	BDAC	
COc1ccc(-n2cnc3nc[nH]c(=O)c32)cc1	36047226	XPWHNNRCIGSODM-UHFFFAOYSA-N	242.238	1.117	0	30	BDAC	
COC(=O)c1ccc(C(C)(F)F)cn1	261304059	SMVFGGUXNDAFRT-UHFFFAOYSA-N	201.172	1.980	0	30	BDAC	
Cn1c(Cl)cnc1I	980094	OMROLINQCROTRB-UHFFFAOYSA-N	242.447	1.678	0	30	BDAC	
CN[C@H]1CCCN(Cc2ccccc2)C1=O	70561172	CISHVRGOUPPTED-LBPRGKRZSA-N	218.300	1.397	0	30	BDAC	
Nc1ncnc2nc(-c3ccccc3)cnc12	4243470	YZCLSEIRDPNKJP-UHFFFAOYSA-N	223.239	1.669	0	30	BDAC	
CC(C)(C)OC(=O)NCCCOCCCN	59697591	JZMHGKBLFXNFDR-UHFFFAOYSA-N	232.324	1.267	0	30	BDAC	
O=[S@@](O)c1cnc(Cl)nc1Cl	59021248	HBAZCDWOLIZOOR-UHFFFAOYSA-N	213.045	1.364	0	30	BDAC	
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)N	238799726	SIDVGRIVHQRPIH-MWLCHTKSSA-N	207.273	1.366	0	30	BDAC	
CC(C)(C)OC(=O)N1CC(Cc2ncccn2)C1	201951856	SEOBJDCODJJFLV-UHFFFAOYSA-N	249.314	1.886	0	30	BDAC	
CC(C)(C)OC(=O)NCCN1CCC1	261507372	HVKBVLCSBOPKFH-UHFFFAOYSA-N	200.282	1.217	0	30	BDAC	
FC(F)(F)CNCc1cn2ccccc2n1	20070350	CMWJDBXRIMKANU-UHFFFAOYSA-N	229.205	1.986	0	30	BDAC	
O=C(O)c1cc(F)c2[nH]c(=O)ccc2c1	62322961	HHFSFOVPMHMSJT-UHFFFAOYSA-N	207.160	1.365	0	30	BDAC	
O=S1(=O)Cc2ccc(Cl)cc2N1	38540465	BGWCGHAJKBRBOH-UHFFFAOYSA-N	203.650	1.595	0	30	BDAC	in-vitro
O=C(O)[C@H]1[C@@H]2C[C@@H](c3ccccc32)[C@H]1C(=O)O	33369578	FMDJPIDUSFJPFC-CKIJPRSSSA-N	232.235	1.673	0	30	BDAC	
COC(=O)c1cc(N)c2ncccc2c1	58041569	VYXZUOSQEKQOKI-UHFFFAOYSA-N	202.213	1.604	0	30	BDAC	in-vitro
CCOC(=O)[C@@H]1C[C@H](C)CSC1=N	100268890	DVGQVFNQOYLCLG-NKWVEPMBSA-N	201.291	1.916	0	30	BDAC	
COC(=O)C1CCC(S(=O)(=O)Cl)CC1	201333890	BXUVNXCLQYDOCH-UHFFFAOYSA-N	240.708	1.287	0	30	BDAC	
CCO[C@@H]1C[C@@H](N)[C@H]1Oc1ccccc1	238853410	JRKQERSGLFDFAY-IJLUTSLNSA-N	207.273	1.570	0	30	BDAC	
CCOC(=O)[C@]1(C(=O)O)C[C@@H]1C(F)(F)F	2265384746	SZUGOPNJRIZFMC-MHTLYPKNSA-N	226.150	1.203	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](CN)[C@H]2C1	250585720	GBPFKXPJCJSCBK-GARJFASQSA-N	240.347	1.838	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2CC(N)=C[C@@H]2C1	306265872	FQNLIKBCVNXITL-RKDXNWHRSA-N	224.304	1.716	0	30	BDAC	
CO[C@@H]1C=C(Br)[C@@H](OC)O1	38313020	RUBCKABMZZZEAK-WDSKDSINSA-N	209.039	1.240	0	30	BDAC	
C[C@@H]1O[C@]2(C)O[C@@H]1[C@]1(C)O[C@@H](C)[C@H]2O1	230137334	YGJPESKBKFTJGW-IWSVPVBZSA-N	200.234	1.040	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@@](CN)(C2CC2)C1	211837831	MJDULQWYYZFIHT-ZDUSSCGKSA-N	240.347	1.982	0	30	BDAC	
O=C(O)Cc1cc2c(cc1Cl)NC(=O)C2	149359256	GXUUMUNKZDELCQ-UHFFFAOYSA-N	225.631	1.462	0	30	BDAC	
CCOc1ccc(C(N)=O)c(OCC)c1	20448012	FQCRJZFMSRNEFK-UHFFFAOYSA-N	209.245	1.583	0	30	BDAC	
CC(C)=CCC[C@H](C)C[C@@H](O)S(=O)(=O)O	6020502	FENZKIHQZXDTDV-UWVGGRQHSA-N	236.333	1.965	0	30	BDAC	
BrC1=C[C@@H]2C[C@H]1[C@@H]1OCO[C@H]21	38236092	YNLUSIIBBYYCTI-LAHCRNKXSA-N	217.062	1.656	0	30	BDAC	
COc1ccccc1[C@](N)(C(=O)O)C(F)(F)F	69548773	JDRNLANXXYVLHB-VIFPVBQESA-N	249.188	1.496	0	30	BDAC	in-vitro
c1nc([C@@H]2CCCNC2)n2c1CCCC2	82931245	VGKITYSVYVEVGT-SNVBAGLBSA-N	205.305	1.686	0	30	BDAC	in-vitro
Oc1ncc(C(F)(F)F)nc1Br	238702417	UVZMDZDAFVQIQD-UHFFFAOYSA-N	242.982	1.964	0	30	BDAC	
CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1CN	258114973	ZLRUCMLJPOPJKQ-SECBINFHSA-N	228.336	1.981	0	30	BDAC	
Oc1ccnn2cc(Br)cc12	2241961148	GINJCLDLPUDTOV-UHFFFAOYSA-N	213.034	1.802	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H](CO)CCCCN	39433960	HMYNSIWLDDOZIQ-VIFPVBQESA-N	232.324	1.001	0	30	BDAC	
CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F	107258965	SMVLBVMSJITGKF-HTQZYQBOSA-N	218.272	1.163	0	30	BDAC	
Cc1c(N)ccc(F)c1N1CCNC1=O	238856125	UWDYNALXCFIAGA-UHFFFAOYSA-N	209.224	1.246	0	30	BDAC	in-vitro
O=C(O)c1cn2c(Br)cnc2cn1	204848406	MOOKIBJOWMZDEK-UHFFFAOYSA-N	242.032	1.190	0	30	BDAC	
O=C(O)c1ncn2c(Br)cccc12	211087981	KOUVLWMFMWEOFP-UHFFFAOYSA-N	241.044	1.795	0	30	BDAC	
O=C(O)c1noc2c1CC(F)(F)CC2	257828202	GHSOWCUVLRQEBQ-UHFFFAOYSA-N	203.144	1.497	0	30	BDAC	
COC(=O)c1c(NC(C)=O)csc1C	82677	ZQGQRCPDMRAGGC-UHFFFAOYSA-N	213.258	1.802	0	30	BDAC	
OCc1cnc(-c2cccc(F)c2)nc1	35323408	DEQODIKQRKARJH-UHFFFAOYSA-N	204.204	1.775	0	30	BDAC	
COCc1cc(Cl)cc(S(N)(=O)=O)c1	133895213	WTWWOYGSYZEMTP-UHFFFAOYSA-N	235.692	1.134	0	30	BDAC	
CC(C)(C)OC(=O)NC1[C@H]2CC(=O)C[C@H]12	141768422	YZWIMFNIJSUNNF-YUMQZZPRSA-N	211.261	1.489	0	30	BDAC	
CON(C)C(=O)c1ccccc1OC(F)F	69536716	HXPUTJKACGZMBO-UHFFFAOYSA-N	231.198	1.921	0	30	BDAC	in-vitro
O=C(O)C(=O)Cc1cc2ccccc2o1	101884154	OTDAVGQFYDIVBS-UHFFFAOYSA-N	204.181	1.629	0	30	BDAC	in-vitro
CC(C)C[C@@H](CN)C(=O)OC(C)(C)C	87188352	CXGQRBFVHKDJJK-VIFPVBQESA-N	201.310	1.949	0	30	BDAC	in-vitro
COC(=O)c1noc2cc(OC)ccc12	98181566	ABWSIIZLTVCIFH-UHFFFAOYSA-N	207.185	1.623	0	30	BDAC	
COC(=O)[C@]12C[C@H]1CCN2C(=O)OC(C)(C)C	204991431	XNZDPPRFOSLQEL-PELKAZGASA-N	241.287	1.559	0	30	BDAC	
O=C1CC=C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34	28571207	WUVYENIUARJBNM-JLNYLFASSA-N	246.354	1.648	0	30	BDAC	biogenic,in-vitro
CCc1ccc2cccc(S(N)(=O)=O)c2n1	39140607	QVIIHAMITRCIJB-UHFFFAOYSA-N	236.296	1.445	0	30	BDAC	
CC(C)n1cnc2c(N)nc(Cl)nc21	39118629	URGLBEHKAGLPSW-UHFFFAOYSA-N	211.656	1.643	0	30	BDAC	
C[C@@]1(c2nc(Br)no2)CCOC1	258791736	JRLSECKLAPDOSE-SSDOTTSWSA-N	233.065	1.510	0	30	BDAC	
CC(C)OC(=O)C=CC(=O)OC(C)C	15219567	FNMTVMWFISHPEV-UHFFFAOYSA-N	200.234	1.446	0	30	BDAC	
CCc1onc([C@H]2CCCOC2)c1C(=O)O	69969410	PUAQTIOSBXHNRK-ZETCQYMHSA-N	225.244	1.829	0	30	BDAC	
COc1ccc2c(c1)[C@@H](CCNC(C)=O)C(=O)N2	96077887	HNEAVHQAQROOMN-SNVBAGLBSA-N	248.282	1.257	0	30	BDAC	world
CN1C(=S)NNC(=O)c2cc(Cl)ccc21	145327	RZPSGVKRWQVEOY-UHFFFAOYSA-N	241.703	1.309	0	30	BDAC	
Cn1oc(=O)c(C=O)c1-c1ccccc1	6072233	REFHEJODAIDWGH-UHFFFAOYSA-N	203.197	1.458	0	30	BDAC	
CCOC(=O)c1noc(Br)c1C	114544455	JDEKAKGYNNXSLB-UHFFFAOYSA-N	234.049	1.922	0	30	BDAC	
COc1cccc([C@@H](N)CCO)c1OC	44396328	JMNFUVWNCHBAMU-VIFPVBQESA-N	211.261	1.086	0	30	BDAC	
C[C@@](O)(C(=O)O)c1cccc(C(F)(F)F)c1	2547743	XFZJIHDLEUDRJM-VIFPVBQESA-N	234.173	1.998	0	30	BDAC	
NS(=O)(=O)Cc1ccc2ncccc2c1	34977923	DIWGPBNBGQWMRM-UHFFFAOYSA-N	222.269	1.023	0	30	BDAC	
N[C@@H]1CCCN(c2cc(F)cc(F)c2)C1	43470500	ZZOJPVBXMIQUEZ-SNVBAGLBSA-N	212.243	1.892	0	30	BDAC	
O=C(O)C1(c2ccnn2C(F)(F)F)CC1	2265384868	AKZXSFZFJQIJOX-UHFFFAOYSA-N	220.150	1.476	0	30	BDAC	
O=C(O)CCCc1cccc2c1OCO2	38647608	LQOVFVGJOQVSNS-UHFFFAOYSA-N	208.213	1.823	0	30	BDAC	
CN1CCC[C@](O)(c2ccccc2)C1=O	5966466	VKGJAXYNMXZOPP-LBPRGKRZSA-N	205.257	1.126	0	30	BDAC	
COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)=O	206923938	QKEQESWFLCEUCV-MRVPVSSYSA-N	245.275	1.032	0	30	BDAC	
CCOC(=O)CC(=O)C[C@H]1CCCO1	43501780	JQZYHGAIIKGKKU-SECBINFHSA-N	200.234	1.078	0	30	BDAC	in-vitro
CCc1ncc2c(n1)N(CC)CCC2=O	39101031	KSHKKENGQLQPMX-UHFFFAOYSA-N	205.261	1.452	0	30	BDAC	
CC(C)(C)OC(=O)c1ccnc(NN)c1	203827155	XUVUGWJGZHCLHZ-UHFFFAOYSA-N	209.249	1.323	0	30	BDAC	
Nc1ncc(Cc2cccc(F)c2)c(N)n1	13726676	CBOOMIGGTVQYEO-UHFFFAOYSA-N	218.235	1.371	0	30	BDAC	
O=C(O)c1cc2ccc(F)cc2nc1C(=O)O	32099634	MJAMQXJWFMDOQB-UHFFFAOYSA-N	235.170	1.770	0	30	BDAC	
CCOC(=O)CC(=O)C(F)(F)C(F)F	114802782	VHRNDLJLFFNECD-UHFFFAOYSA-N	216.130	1.409	0	30	BDAC	
CNC(=O)c1occc1Br	38363641	RGFCSBABKZXBEH-UHFFFAOYSA-N	204.023	1.402	0	30	BDAC	
OC1([C@@H]2CCCN2)Cc2ccccc2C1	38235425	APGOZZJUJJGCGF-LBPRGKRZSA-N	203.285	1.268	0	30	BDAC	
O=C(O)c1cc(O)ccc1OC(F)F	306535488	GIKNMUCPFHBHCE-UHFFFAOYSA-N	204.128	1.692	0	30	BDAC	
Cc1coc(I)n1	75843639	XPNRKYOOXJFVCZ-UHFFFAOYSA-N	208.986	1.588	0	30	BDAC	
Nc1cc(Cl)cnc1OCC(F)F	130433348	IDUVFYUCALQEML-UHFFFAOYSA-N	208.595	1.961	0	30	BDAC	
CC(=O)Oc1ccc2c(cnn2C(C)=O)c1	5434475	STKYXVXUUPIMSU-UHFFFAOYSA-N	218.212	1.622	0	30	BDAC	
CCCOC(=O)Cc1ccc(O)c(OC)c1	5835431	SYEBQVUZYCJAEQ-UHFFFAOYSA-N	224.256	1.897	0	30	BDAC	
CC1CC(NC(=O)OC(C)(C)C)(C(=O)O)C1	232782430	BPPNYOGGJJJOSY-UHFFFAOYSA-N	229.276	1.764	0	30	BDAC	
COC(=O)C[C@@H]1CCNCCC1(F)F	259858245	MNEJSCGXXRVUAD-ZETCQYMHSA-N	207.220	1.184	0	30	BDAC	
COC(=O)[C@@H](c1ccccc1)C(C)(C)N	536952595	DZVAMQOLKQTCQX-SNVBAGLBSA-N	207.273	1.681	0	30	BDAC	
CC(C)(CCN)CNC(=O)OC(C)(C)C	142237171	WHDJZFBKQKJKLS-UHFFFAOYSA-N	216.325	1.886	0	30	BDAC	
CC(C)(C)O[C@@H]1C[C@@H](N)C12CCOCC2	642882991	HFWPJTIRIQFVTJ-NXEZZACHSA-N	213.321	1.698	0	30	BDAC	
CCOC(=O)[C@@H](C(C)=O)[C@H]1CCCC1=O	584879911	SWKXEGKWOQENLT-WPRPVWTQSA-N	212.245	1.124	0	30	BDAC	
O=C(O)C(F)(F)c1ccc(Cl)cn1	220049298	YVEGFRTYIGNFJM-UHFFFAOYSA-N	207.563	1.911	0	30	BDAC	
O=C(O)c1ccn(-c2cncc(F)c2)n1	300966424	OQMUFAOCMXIHIL-UHFFFAOYSA-N	207.164	1.105	0	30	BDAC	
CN(C)c1ccc(N[C@@H]2CCCNCC2)cn1	97053981	WEEPSNPAXFSEPX-LLVKDONJSA-N	234.347	1.702	0	30	BDAC	
Nc1[nH]nc(O)c1-c1ccc(F)c(F)c1	84933296	QXOMFDJMSDJUJI-UHFFFAOYSA-N	211.171	1.643	0	30	BDAC	
c1cc(N2CCCC2)nc(C2CCNCC2)n1	584879929	WFGUZCUVKGFQBA-UHFFFAOYSA-N	232.331	1.544	0	30	BDAC	
O=c1cc(Br)c2cnccc2[nH]1	39236134	OGRZHFWNLNRXGT-UHFFFAOYSA-N	225.045	1.686	0	30	BDAC	
Cc1ccc(-n2ccc(C(=O)O)n2)cc1	20475851	NOVBSGSCYSNIKR-UHFFFAOYSA-N	202.213	1.879	0	30	BDAC	
O=C(O)CCNC(=S)Nc1cccc(F)c1	89613	IDUQJSVSUWHGEQ-UHFFFAOYSA-N	242.275	1.587	0	30	BDAC	
CCOC(=O)C(F)(F)/C=C/n1cccn1	1554713266	NKOZPXDSLRIUOM-QPJJXVBHSA-N	216.187	1.552	0	30	BDAC	
O=C(O)[C@@]1(C2CCOCC2)CC1(F)F	1536084651	NCHNIUIRMLCYPT-QMMMGPOBSA-N	206.188	1.523	0	30	BDAC	
CO[C@@H]1C[C@H](N)CC[C@@H]1NC(=O)OC(C)(C)C	238335741	HOBKKRZRCCJJSZ-KXUCPTDWSA-N	244.335	1.406	0	30	BDAC	
C[C@H](N)c1ccc(CS(C)(=O)=O)cc1	258013928	IMEDJUXWRMGYTF-QMMMGPOBSA-N	213.302	1.251	0	30	BDAC	
NC(=O)c1cnc(-c2cc(F)ccc2F)nc1	35323385	VZJXEVZUPAZURI-UHFFFAOYSA-N	235.193	1.521	0	30	BDAC	
CCOc1ccc(C[C@@H](O)C(=O)O)cc1	32012336	DJIPWAVUSXDBDG-SNVBAGLBSA-N	210.229	1.073	0	30	BDAC	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=N)NO)C1	1535642509	KCISQYYTOPNBMO-KNVOCYPGSA-N	229.280	1.246	0	30	BDAC	
C[C@@H]1COC(=O)[C@H]2CCCC[C@H]2C(=O)O1	255992984	ORXDTHSDUGATMQ-HRDYMLBCSA-N	212.245	1.281	0	30	BDAC	
NC[C@@H](c1nn[nH]n1)C12CC3CC(CC(C3)C1)C2	216938738	YVRJJORZPPLZOE-ZQMDXNIRSA-N	247.346	1.458	0	30	BDAC	
Cn1cc2cc(N)c(Br)cc2n1	259549016	UDHOHGGNIRXGMS-UHFFFAOYSA-N	226.077	1.918	0	30	BDAC	
Cn1c(Cl)cnc1-c1csc(N)n1	334163910	XQHXTRJMHJTYQB-UHFFFAOYSA-N	214.681	1.779	0	30	BDAC	
CC(C)(C)OC(=O)NC1[C@@H]2CC(=O)C[C@@H]12	141768077	YZWIMFNIJSUNNF-HTQZYQBOSA-N	211.261	1.489	0	30	BDAC	
COc1cc(OC)c2c(C=O)n[nH]c2c1	14983084	OEDBGKJYQGRQOD-UHFFFAOYSA-N	206.201	1.393	0	30	BDAC	
O=C(OCc1ccccc1)N1CC[C@]12CCNC2	91690600	CBCSBIYBWXQQPR-AWEZNQCLSA-N	246.310	1.761	0	30	BDAC	
CCOC(=O)c1csc([C@H](C)O)n1	39121855	YGMYQJINQIYLLW-YFKPBYRVSA-N	201.247	1.373	0	30	BDAC	
N[C@@H](Cc1ccc(Cl)nc1Cl)C(=O)O	44287194	UNKGNUUNKARERE-YFKPBYRVSA-N	235.070	1.343	0	30	BDAC	
Cn1cc([C@@H]2NC(=O)NC2=O)c2ccccc21	207585076	LEAPGJZKAATGFE-JTQLQIEISA-N	229.239	1.059	0	30	BDAC	
CCOC(=O)C(=CN(C)C)c1ccccn1	4051564	CFQAJMAPWQSTJP-UHFFFAOYSA-N	220.272	1.547	0	30	BDAC	
O=C(O)[C@@]1(c2cccc(Cl)c2)C[C@@H]1CO	132800629	CSOCFUHEHDXTOY-LDYMZIIASA-N	226.659	1.675	0	30	BDAC	
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC	4344321	MPLDLMYNRCYIIL-RKDXNWHRSA-N	244.335	1.672	0	30	BDAC	
CSc1nc(Cl)c2ncn(C)c2n1	201151050	UVNKZTXYNUAHAB-UHFFFAOYSA-N	214.681	1.739	0	30	BDAC	in-vitro
CCOC(=O)[C@H]1CCN(C(C)(C)C)CC1=O	140426251	WNXKULKEAXAHGH-VIFPVBQESA-N	227.304	1.239	0	30	BDAC	
C[C@]12CCC3(C[C@@H]1CCC2=O)OCCO3	141685612	NUXYBJCBFBFRJF-ONGXEEELSA-N	210.273	1.899	0	30	BDAC	
c1cc(N2CCNCC2)c2ncsc2c1	45236960	SBFDRFAVCUTPAM-UHFFFAOYSA-N	219.313	1.706	0	30	BDAC	
NCc1ccc2cc(C(=O)O)ccc2c1	1535645518	AGSRQTYYPFZMMD-UHFFFAOYSA-N	201.225	1.997	0	30	BDAC	
COc1ccccc1N1CCN[C@@H](C)CC1	49660835	LLRXTHCYGIMTOI-NSHDSACASA-N	220.316	1.883	0	30	BDAC	
CC(C)OC(=O)NCC[C@H]1CCCN1C	710461304	LSGPEZRTMISFTQ-SNVBAGLBSA-N	214.309	1.605	0	30	BDAC	
NCCSCc1ccnc(Cl)c1	52709099	JPGXERNMCOEMQJ-UHFFFAOYSA-N	202.710	1.927	0	30	BDAC	in-vitro
COC(=O)c1ccc(C)cc1C(=O)OC	1649061	GICLKLDOSTVQQA-UHFFFAOYSA-N	208.213	1.568	0	30	BDAC	
CC1(C)NC(=O)N(c2cccc(N)c2)C1=O	40911496	DMQJGNKUQTUVSM-UHFFFAOYSA-N	219.244	1.104	0	30	BDAC	in-vitro
O=C(O)Cc1ccccc1N1CCCC1=O	53200720	FCLBHKVFUDDYCD-UHFFFAOYSA-N	219.240	1.441	0	30	BDAC	
CCn1c(N2CCC[C@@H](N)C2)nc2ccccc21	43220238	ZRYWOHWETUYIKS-LLVKDONJSA-N	244.342	1.984	0	30	BDAC	
CN(C)Cc1coc2ccccc2c1=O	124378	KTAZHOMCZXBTJI-UHFFFAOYSA-N	203.241	1.855	0	30	BDAC	
O=C(O)[C@]1(Nc2ccccc2)CCCNC1	953107993	RSWKEOQFASHXNL-LBPRGKRZSA-N	220.272	1.305	0	30	BDAC	
CCCNCCCC1=CC(=O)C(=O)C=C1	39096602	BVWVEMINLKBZAF-UHFFFAOYSA-N	207.273	1.401	0	30	BDAC	
NCc1cnc(-c2ccc(O)cc2)s1	40996864	JCXJYLIHNPZTEA-UHFFFAOYSA-N	206.270	1.974	0	30	BDAC	
O=c1nc(C(F)(F)F)[nH]c2ccc(O)cc12	204985636	XZPZSUSGMFXBEZ-UHFFFAOYSA-N	230.145	1.648	0	30	BDAC	
FC(F)(F)c1ccnc(C2CNC2)n1	707907666	VGESVYINJPDGAL-UHFFFAOYSA-N	203.167	1.182	0	30	BDAC	
c1nc(C2CCNCC2)n2c1CCCC2	82931244	IHYHCFBFUDFOCY-UHFFFAOYSA-N	205.305	1.686	0	30	BDAC	in-vitro
NCC(=O)N1CCCCc2ccccc21	83870157	AOKUXSUNOZPFPK-UHFFFAOYSA-N	204.273	1.315	0	30	BDAC	
COc1ccc(C=CC2=NNC(=O)CC2)cc1	2265276165	DCXOGDFXYWSZPU-UHFFFAOYSA-N	230.267	1.974	0	30	BDAC	
O=C(O)[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1	158015	RDZZYCFISJESTF-NSHDSACASA-N	245.278	1.087	0	30	BDAC	
C/C=C/[C@@H](O)CNC(=O)OC(C)(C)C	39091318	PPLRDQISQJXENE-HQZHTGGTSA-N	201.266	1.448	0	30	BDAC	
CCOC(=O)C1(C(=O)O)CC2(CCC2)C1	261318783	GERXLPFYYYKBMM-UHFFFAOYSA-N	212.245	1.585	0	30	BDAC	
COC(=O)c1ccc2c(c1)NC(=O)[C@@H](C(C)C)O2	259738254	JUPZGKWUZXVPQF-LLVKDONJSA-N	249.266	1.829	0	30	BDAC	
COCc1cc(=O)[nH]c(-c2cccc(C)c2)n1	18068278	BNTGJUGKEVLXKB-UHFFFAOYSA-N	230.267	1.892	0	30	BDAC	
COCC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	405457689	YDTHZSZTWFGIBX-VIFPVBQESA-N	243.303	1.601	0	30	BDAC	
Nc1c(Cl)cccc1S(=O)(=O)O	139585756	IDXBVHWWMUPXIU-UHFFFAOYSA-N	207.638	1.169	0	30	BDAC	
CCOC(=O)[C@@H](N)[C@@H](C)c1ccccc1	41046467	JJJCCMPPURKHIM-ONGXEEELSA-N	207.273	1.681	0	30	BDAC	
Brc1cc2n(c1)CCNC2	83283678	AZNGOZJXQZIYQJ-UHFFFAOYSA-N	201.067	1.354	0	30	BDAC	
c1ccc(CN2CC[C@@H]3CCN[C@@H]32)cc1	238041467	BLJHUEHDYDJFMY-QWHCGFSZSA-N	202.301	1.828	0	30	BDAC	
Cc1nc([C@H]2CCCN(C)C2)oc1C(=O)O	390379850	XGEGHRNDGBXQDL-QMMMGPOBSA-N	224.260	1.490	0	30	BDAC	
C1CC[C@@H]2OCCOCCOCCO[C@H]2C1	2516855	ILCAEFFUYHJPAL-RYUDHWBXSA-N	230.304	1.378	0	30	BDAC	
Nc1cc(Br)cc2c1OCCNC2	2265385802	WZUBAUCCBZCVOY-UHFFFAOYSA-N	243.104	1.513	0	30	BDAC	
OCCNc1cncc(Br)c1	98210143	VAZZBFYFAPHBGP-UHFFFAOYSA-N	217.066	1.248	0	30	BDAC	in-vitro
COc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1	143976706	SWCLPNRWVPHAJK-SECBINFHSA-N	244.250	1.307	0	30	BDAC	
Cn1c(CCNCCO)cc2ccccc21	39110036	LXYRKTXIIQGGPM-UHFFFAOYSA-N	218.300	1.303	0	30	BDAC	
Clc1ccc([C@@H]2NC=CC3=C2NCN3)cc1	299803488	TXYCDGXVCLYBQV-NSHDSACASA-N	233.702	1.860	0	30	BDAC	
CCN(C(C)=O)[Si](C)(C)N(CC)C(C)=O	196652608	MYADPEFFMQPOQC-UHFFFAOYSA-N	230.384	1.425	0	30	BDAC	
COC(=O)c1ccc2nc(C=O)[nH]c2c1	199616399	XXYXVEFCEABIOW-UHFFFAOYSA-N	204.185	1.162	0	30	BDAC	
NC(=O)c1cc(C(F)(F)F)ccc1O	39149318	FJHVFQGFTCVULB-UHFFFAOYSA-N	205.135	1.510	0	30	BDAC	
CCOc1cc(C(C)=O)nc(C(C)=O)c1	35653796	QKNLMVOIEUSWEW-UHFFFAOYSA-N	207.229	1.886	0	30	BDAC	
CC(C)(C)OC(=O)O[C@H]1C=CCOC1	1857792947	FRMDWJCFXIBOCJ-QMMMGPOBSA-N	200.234	1.893	0	30	BDAC	
O=c1[nH]nc2n1-c1ccccc1SC2	3946	DEHMKMLLYRNHIJ-UHFFFAOYSA-N	205.242	1.166	0	30	BDAC	
Cc1nn(C)c2[nH]c3c(c(=O)c12)CSC3	149536	ZWNLFVIBRHFZCW-UHFFFAOYSA-N	221.285	1.317	0	30	BDAC	
Cc1cc2c(cc1C)Nc1c(c(=O)c1=O)N2	100118064	BASBSZUMTFRBGA-UHFFFAOYSA-N	214.224	1.700	0	30	BDAC	
CCOC(=O)[C@@]12CCCCC[C@@H]1NC(=O)C2	1535641154	RXWPOBMLSMGTKY-JOYOIKCWSA-N	225.288	1.389	0	30	BDAC	
CC(C)(C)OC(=O)NOCCCCO	39093313	WTIDLMHBMYUBGG-UHFFFAOYSA-N	205.254	1.215	0	30	BDAC	
CC(C)CC(=O)Nc1nnc(N)s1	86476800	BTPYBMDOUJQJKU-UHFFFAOYSA-N	200.267	1.105	0	30	BDAC	
NC1(c2ccc(Br)nc2)COC1	95764016	JCQJBWHJRICCBY-UHFFFAOYSA-N	229.077	1.028	0	30	BDAC	
C[C@H]1CCN(Cc2ccccc2)[C@H]1CO	248889090	FLGMZFFCWQYRFZ-AAEUAGOBSA-N	205.301	1.889	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CNC[C@H]21	701671050	AAGNVQRRGGYPFE-KXUCPTDWSA-N	226.320	1.367	0	30	BDAC	
COc1cccc2c1OC[C@@H]1CON(C)[C@@H]21	3133124	BKOLIUJDPAKAHH-LDYMZIIASA-N	221.256	1.622	0	30	BDAC	
COc1ccc(-n2c(C)c(C(=O)O)[nH]c2=O)cc1	95616746	RIXGUCAHSLEIQU-UHFFFAOYSA-N	248.238	1.181	0	30	BDAC	
COc1ccc(CCN)c(Br)c1	59228980	XYUWLBQYWHAXOP-UHFFFAOYSA-N	230.105	1.959	0	30	BDAC	
Fc1cc(-c2nnn[nH]2)ccc1Br	95218979	IUOCZMPZUDHROT-UHFFFAOYSA-N	243.039	1.768	0	30	BDAC	
CCOC(=O)NC(=S)N1CCSCC1	172810	MKHFAXXHDPWDJJ-UHFFFAOYSA-N	234.346	1.066	0	30	BDAC	
O=c1[nH][nH]c(=O)c2cc(Cl)c(Cl)cc12	9339783	QPSXEBPPNJKITO-UHFFFAOYSA-N	231.038	1.523	0	30	BDAC	
Cn1ccnc1C[C@@H](N)c1ccccc1	20442309	FCQJZGCFXNHCHP-LLVKDONJSA-N	201.273	1.663	0	30	BDAC	
CN1CCCN(c2ccc(N)cc2F)CC1	32628485	DZVMBVDQVQEWNT-UHFFFAOYSA-N	223.295	1.550	0	30	BDAC	
CN(C)c1nc(O)nc(-c2ccccc2)n1	8637129	SEXOLEOEFAQRFT-UHFFFAOYSA-N	216.244	1.310	0	30	BDAC	
CO[C@H]1NC(C)=CC2=C1NC(=O)OC2(C)C	35570174	VGIDJMTWFJNBIH-SECBINFHSA-N	224.260	1.238	0	30	BDAC	
C[C@@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)O	59942822	WMFFVAZKIWXNQV-ZCFIWIBFSA-N	243.209	1.097	0	30	BDAC	
CCOC(=O)c1cn(C)nc1-c1ccco1	521399859	VCCQVYYUSSPRMY-UHFFFAOYSA-N	220.228	1.857	0	30	BDAC	
O=C(O)C[C@@](O)(c1ccccc1)c1ccncc1	84551833	UPFPRSHFWIWYIP-CQSZACIVSA-N	243.262	1.792	0	30	BDAC	
COC(=O)[C@@H](C)c1ccccc1[N+](=O)[O-]	146957756	HZQJIRPOWBNSQO-ZETCQYMHSA-N	209.201	1.871	0	30	BDAC	
COC(=O)Cn1ccc2c(N)cccc21	70569140	UCEZCJIFSUDAIU-UHFFFAOYSA-N	204.229	1.397	0	30	BDAC	
COc1cc(Br)ccc1C(=N)N	84296351	HMVVQBCCWYLWCA-UHFFFAOYSA-N	229.077	1.742	0	30	BDAC	
CCOC(=O)c1nc(CC)sc1N	84856092	QHLZYAIVDXLQRL-UHFFFAOYSA-N	200.263	1.464	0	30	BDAC	
O=C(O)c1coc(C(F)(F)Br)n1	2265360069	XGPMRRCQEVCKDK-UHFFFAOYSA-N	241.975	1.817	0	30	BDAC	
O=C1CC(c2ccc(Br)cc2)=NN1	100076959	WESYQPCMJBXDKK-UHFFFAOYSA-N	239.072	1.673	0	30	BDAC	
Cc1c(C(=O)O)ccc(S(C)(=O)=O)c1F	117086349	AMTWIUHPASHZQO-UHFFFAOYSA-N	232.232	1.236	0	30	BDAC	
C=Cc1ccc(COC[C@@H](O)CO)cc1	79416483	DMLOEBMSYNOCQP-LBPRGKRZSA-N	208.257	1.199	0	30	BDAC	
NCCCc1cccc(Br)n1	44280215	ORMHWEPIOPMTFB-UHFFFAOYSA-N	215.094	1.735	0	30	BDAC	
O=S(=O)(Nc1ccc(O)nc1)C(F)(F)F	309101121	JCXCHOQPAFWGKH-UHFFFAOYSA-N	242.178	1.049	0	30	BDAC	
CSc1n[nH]c(=O)n1-c1ccc(Cl)cc1	15924161	LNZSQIPBTRBBSJ-UHFFFAOYSA-N	241.703	1.936	0	30	BDAC	
CCOC(=O)[C@@H]1CC1(OCC)OCC	39099175	MEVRHKJVFIEBSU-QMMMGPOBSA-N	202.250	1.339	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2C(=O)O	250594038	OQCJMHMUVJXYQH-BRPSZJMVSA-N	241.287	1.574	0	30	BDAC	
CCn1c(CCN)nc2cc3c(cc21)OCCO3	19752866	AOFFRAIPDDQCGH-UHFFFAOYSA-N	247.298	1.329	0	30	BDAC	
O=C(O)/C=C\C(=O)NCCC1=CCCCC1	100230503	DUMIYBZROAZLRP-SREVYHEPSA-N	223.272	1.634	0	30	BDAC	
C[Sn](C)(C)c1cccnc1	196045452	VDHNKGVVXBUCFR-UHFFFAOYSA-N	241.910	1.627	0	30	BDAC	
O=c1oc2cc(O)ccc2c2c1COCC2	144532465	FHBQWQYULDALPB-UHFFFAOYSA-N	218.208	1.571	0	30	BDAC	
CCOC(=O)c1cc2cc(C=O)oc2[nH]1	238291751	DKXQFRHOSMALBZ-UHFFFAOYSA-N	207.185	1.750	0	30	BDAC	
Cn1ccnc1C(=O)c1cc(Cl)ccc1N	70671813	MNKUUSUHXFYFRZ-UHFFFAOYSA-N	235.674	1.887	0	30	BDAC	
NCc1cc(C(F)(F)C(F)(F)F)on1	1535543457	VOYLEUMHPYZIRN-UHFFFAOYSA-N	216.109	1.787	0	30	BDAC	
COc1cc([C@@H]2C[C@H]2N)c(OC)cc1C	27625183	HYVPPECPQRBJEQ-WCBMZHEXSA-N	207.273	1.827	0	30	BDAC	
CC1(C)O[C@@H]2[C@H](O1)c1ccccc1[C@H](O)[C@H]2O	2265351887	LQFVMMXGCQIURF-QCNOEVLYSA-N	236.267	1.287	0	30	BDAC	
CC(C)(C)OC(=O)Nc1cncc(CN)c1	35569366	OTXAUSMKLLZKEW-UHFFFAOYSA-N	223.276	1.887	0	30	BDAC	
COCCOCc1ccc(C(=O)OC)cc1	34956528	FAGPZVXSLSJSEF-UHFFFAOYSA-N	224.256	1.636	0	30	BDAC	
Nc1cccc(OC(F)F)c1C(=O)O	221946247	FNNJBUFLVPRXBT-UHFFFAOYSA-N	203.144	1.568	0	30	BDAC	
NNc1nc(-c2ccccn2)nc2c1CCC2	51152074	SZSKZFXZKKASQU-UHFFFAOYSA-N	227.271	1.313	0	30	BDAC	in-vitro
c1ccc(OCCOc2ccccn2)nc1	15906910	KDEDFYIELMSARI-UHFFFAOYSA-N	216.240	1.934	0	30	BDAC	
CNC[C@H](O)c1ccc(Br)cc1	32015861	QGGFPJXPRUNQJX-VIFPVBQESA-N	230.105	1.702	0	30	BDAC	in-vitro
OC[C@@H]1CC1(Br)Br	136327013	WGGWTNZMORMBKX-VKHMYHEASA-N	229.899	1.485	0	30	BDAC	
CC(C)(C)OC(=O)n1cc(CCO)cn1	149779246	QVXACZCIJWUOQQ-UHFFFAOYSA-N	212.249	1.201	0	30	BDAC	
Cc1ccccc1N1CCN(N=O)CC1	2265365045	IMIQCBFBCSYVHH-UHFFFAOYSA-N	205.261	1.798	0	30	BDAC	
CCOC(=O)Cc1ccc(CO)c(OC)c1	1249881665	DWSFHXKOPZYQCK-UHFFFAOYSA-N	224.256	1.293	0	30	BDAC	
NC[C@H]1CN(c2ccc(Cl)cc2)CCO1	11632338	JAUUSDGWHWVEGZ-NSHDSACASA-N	226.707	1.504	0	30	BDAC	
COC(=O)[C@@H](N)Cc1c[nH]c2ccc(OC)cc12	27851951	ZLVRWEGIPKKGJL-NSHDSACASA-N	248.282	1.219	0	30	BDAC	
C[C@H]1NCCn2c(C3CCCC3)nnc21	53710646	SKGNSJFJRJUZCC-MRVPVSSYSA-N	206.293	1.600	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)N[C@H](O)C(F)(F)F	32150259	HVTJYNRKBXOBCX-SCSAIBSYSA-N	215.171	1.392	0	30	BDAC	
CCC[C@@H](C)COC(=O)CCC(=O)CN	34381140	SCAKPIXDAZCYRT-SECBINFHSA-N	215.293	1.274	0	30	BDAC	
Cc1cccc(N2CCC(=O)CC2=O)c1	86475984	GPBWVRVYIVBCSC-UHFFFAOYSA-N	203.241	1.691	0	30	BDAC	
CCNCCN(CC)C(=O)OC(C)(C)C	34289042	NIXXMICHQDQBHZ-UHFFFAOYSA-N	216.325	1.853	0	30	BDAC	
Cc1sc(S(=O)(=O)N2CCCC2)cc1N	68590238	UWWAFEHDESHUDX-UHFFFAOYSA-N	246.357	1.423	0	30	BDAC	
COc1cc(Cl)ccc1[C@H](N)C(=O)O	75069548	IYONYWMUVILLMS-QMMMGPOBSA-N	215.636	1.433	0	30	BDAC	
Cc1[nH]nc2c1CN[C@@H]1CCCC[C@H]1O2	725712302	YQEZHEOALZWLDA-NXEZZACHSA-N	207.277	1.511	0	30	BDAC	
COc1cccc(-c2c[nH]c(CN)n2)c1	36870971	KQKGNSGBFGIRFI-UHFFFAOYSA-N	203.245	1.544	0	30	BDAC	
CC(C)(C)OC(=O)N[C@@]1(C)C[C@@H]2CC[C@H]1N2	1384380914	ZWPWUBQASYMSSD-SBMIAAHKSA-N	226.320	1.794	0	30	BDAC	
Cn1c2c(c3c1C(=O)NCC3)CCCC2	328578414	KPGLAUXDVUUMSE-UHFFFAOYSA-N	204.273	1.190	0	30	BDAC	
Nc1ccc(SCC(=O)O)c(C(=O)O)c1	86717	FEVBCOFFMNIYBB-UHFFFAOYSA-N	227.241	1.144	0	30	BDAC	
CCCN1CCO[C@H]2c3cc(O)ccc3OC[C@H]21	27437184	YOILXOMTHPUMRG-OCCSQVGLSA-N	249.310	1.937	0	30	BDAC	in-vitro
N[C@@H]1C[C@H]1c1ccc(Br)nc1	146249903	NWLHGQAKWNDXPX-NKWVEPMBSA-N	213.078	1.659	0	30	BDAC	
COc1ccc2c(c1)O[C@@](C)(OC)CO2	72232985	LQZQHBHPEGLXFK-LLVKDONJSA-N	210.229	1.829	0	30	BDAC	
CCS(=O)(=O)C(=O)N1CCCCCC1	2510348	YDGVBAZMNPWLGE-UHFFFAOYSA-N	219.306	1.417	0	30	BDAC	
COc1ccc2c(c1)C1(CCN(C)CC1)C(=O)N2	79031830	NUOATCLREIKYDA-UHFFFAOYSA-N	246.310	1.611	0	30	BDAC	
CCOC(=O)c1ncn(-c2cccc(OC)c2)n1	91368982	UTXDEGUMNFEZOQ-UHFFFAOYSA-N	247.254	1.453	0	30	BDAC	
Cn1c(-c2ccccc2)ns/c1=N/C#N	100101312	FHECVOVKWPDTPU-ZRDIBKRKSA-N	216.269	1.530	0	30	BDAC	
Cn1cc([C@@H]2CCCN2)c(C(F)F)n1	1536142509	NPFRIIXGTHQXHW-ZETCQYMHSA-N	201.220	1.782	0	30	BDAC	
CC(=O)O[C@H]1CCCN(Cc2ccccc2)C1=O	34445495	GCFZDQQHPLSBPY-ZDUSSCGKSA-N	247.294	1.741	0	30	BDAC	
CC1(C)OC(=O)C(=C2CCCC2)C(=O)O1	139073935	UNLICWFXGAYRLK-UHFFFAOYSA-N	210.229	1.693	0	30	BDAC	
CC(C)(C)OC(=O)N1C[C@H](O)[C@H]2OCCC[C@@H]21	238207820	YGPOVGXTDBUOGY-GUBZILKMSA-N	243.303	1.146	0	30	BDAC	
CS(=O)(=O)c1ccncc1Br	95775851	NVLNYNVAXUBFNY-UHFFFAOYSA-N	236.090	1.248	0	30	BDAC	
CCOC(=O)c1ccnc(C(=O)OCC)c1N	223347241	YJBQQXGRRSXTCW-UHFFFAOYSA-N	238.243	1.017	0	30	BDAC	
Cc1nn2c(CO)c(C(C)C)nc2s1	62397259	ITZYRRFECMIBOV-UHFFFAOYSA-N	211.290	1.715	0	30	BDAC	
COC(=O)c1ccc(C(=O)O)cc1OC	39220515	MAIDVTUHEDEKMF-UHFFFAOYSA-N	210.185	1.180	0	30	BDAC	
CC(C)C[C@H](CN)C(=O)OC(C)(C)C	87188353	CXGQRBFVHKDJJK-SECBINFHSA-N	201.310	1.949	0	30	BDAC	in-vitro
O=C1CCCC[C@@H]1C1=CCC[C@H](O)[C@@H]1O	2265351738	JUDSGQNXERMLQS-JFUSQASVSA-N	210.273	1.188	0	30	BDAC	
CCOCn1nc(C)c(C[C@H](C)C(=O)O)c1C	328579616	RMDKLJYORYQNMI-QMMMGPOBSA-N	240.303	1.757	0	30	BDAC	
CCOc1cc(OCC)nc(NC#N)n1	39121166	BFYLLLAPVIHDMH-UHFFFAOYSA-N	208.221	1.167	0	30	BDAC	
O=C(O)[C@H]1CCCN(c2ccccc2)C1=O	106788553	ZKVHCSGIMKBCIM-JTQLQIEISA-N	219.240	1.514	0	30	BDAC	in-vitro
COC(=O)c1nnn(C)c1-c1ccccc1OC	113881615	OCMHDEWHWZOASC-UHFFFAOYSA-N	247.254	1.277	0	30	BDAC	
C[C@@H]1C[C@@H](NC(=S)NCCO)CC(C)(C)C1	4376715	VLVUHHONVJIBBY-NXEZZACHSA-N	244.404	1.658	0	30	BDAC	
O=C1NCc2cc(Br)ncc21	95764294	UBJLFRQJAPWVSI-UHFFFAOYSA-N	213.034	1.088	0	30	BDAC	
CN[C@@H](C)CN(C)C(=O)OC(C)(C)C	259376431	QZTAKDJJHFEZRQ-QMMMGPOBSA-N	202.298	1.461	0	30	BDAC	
Nc1n[nH]c2cc(OCC3CC3)ccc12	725240011	UDOAFHIVADMIQZ-UHFFFAOYSA-N	203.245	1.934	0	30	BDAC	
CCOC(=O)CC1(O)Cc2ccccc2C1	52248763	WRTWQOZLEIKMES-UHFFFAOYSA-N	220.268	1.470	0	30	BDAC	in-vitro
CC(C)(CC(=O)O)[C@H](CCC(=O)O)C(=O)O	2145456	SRXBEKYXSVLAPC-ZCFIWIBFSA-N	232.232	1.053	0	30	BDAC	
CN(C)CCOc1cccc2c1OCCO2	31622896	BMOUIHMXIWRSDF-UHFFFAOYSA-N	223.272	1.398	0	30	BDAC	in-vivo
N[C@@H](CO)Cc1cc(Cl)ccc1Cl	44464431	HAEZGCGMFWHCLN-MRVPVSSYSA-N	220.099	1.856	0	30	BDAC	
CCCCCCN1C(=O)[C@H]2CN=N[C@@H]2C1=O	101415913	BMZFSCYIQIFSQJ-IUCAKERBSA-N	223.276	1.386	0	30	BDAC	
C[C@@H](CN(C)C(=O)OC(C)(C)C)[S@](=O)O	2265385019	PWXZSALMURGFJF-ZETCQYMHSA-N	237.321	1.464	0	30	BDAC	
COC(=O)[C@H]1C(=O)CC[C@@H]1c1ccccc1	38812833	FWLLPGIDURYFKA-ZYHUDNBSSA-N	218.252	1.922	0	30	BDAC	
Nc1cnn(Cc2ccc(Cl)cc2)c1N	96327297	DEZOGYCXWGTILF-UHFFFAOYSA-N	222.679	1.749	0	30	BDAC	
CCCCOCCO[C@H](C)COC[C@H](C)O	33638047	ZENPKPOPTRKSMJ-NWDGAFQWSA-N	234.336	1.606	0	30	BDAC	
NNC(=S)[C@H]1CCCc2ccccc21	103684034	WIAIIRVFYYIMRG-JTQLQIEISA-N	206.314	1.897	0	30	BDAC	
O=S(=O)(Cl)c1ccc(O)c(Cl)c1	104539138	QYOQXDXBVDJMAY-UHFFFAOYSA-N	227.068	1.973	0	30	BDAC	
CS(=O)(=O)c1cscc1Br	202827890	WFOUJGVTUTWLRJ-UHFFFAOYSA-N	241.131	1.914	0	30	BDAC	
CC(C)(C)OC(=O)[C@H]1CCNCC1(F)F	328579347	BXYCDALKPLQNNI-SSDOTTSWSA-N	221.247	1.573	0	30	BDAC	
CCOC(=O)[C@@]1(N)CCc2ccccc21	37459891	UBJMPCLTXLHGKE-GFCCVEGCSA-N	205.257	1.350	0	30	BDAC	in-vitro
O=C(O)C[C@H]1CCC[C@@H](C(F)(F)F)O1	675050667	GXBYZAXJUHSWEW-RITPCOANSA-N	212.167	1.961	0	30	BDAC	
CN(C)C(=S)CCCC1(C)OCCO1	39124826	KDVGHRXYDKQSNC-UHFFFAOYSA-N	217.334	1.809	0	30	BDAC	
CC(=O)N[C@H](CSC(C)(C)C)C(=O)O	81129971	DLMWKKBRGFAKDE-SSDOTTSWSA-N	219.306	1.107	0	30	BDAC	
Cc1cc(O)nn(-c2ccccc2)c1=O	105053	MKHTVVUEZRLOOD-UHFFFAOYSA-N	202.213	1.247	0	30	BDAC	
Oc1ccc2c(c1)[C@H]1OCCN[C@@H]1CC2	22060168	RCTXZLWJOZFFFZ-VXGBXAGGSA-N	205.257	1.368	0	30	BDAC	in-vitro
FC(F)(F)c1ccc(-n2cncn2)nc1	122091	LUWGRVMBUSNLRR-UHFFFAOYSA-N	214.150	1.681	0	30	BDAC	
O[C@@]1(C(F)(F)F)CC(c2ccncc2)=NN1	170704	PASVNUQASGMQRA-MRVPVSSYSA-N	231.177	1.030	0	30	BDAC	
CC(C)(C)OC(=O)NC[C@@]1(O)CCSC1	124545772	TZWSMNORVFRPIT-JTQLQIEISA-N	233.333	1.379	0	30	BDAC	
Cc1nc2cc(N)ccc2n1C1(CO)CCC1	123075541	YJYBBDFUSUYLSY-UHFFFAOYSA-N	231.299	1.798	0	30	BDAC	
NCCCNc1cc(=O)c2ccccc2[nH]1	80778169	MUALRORKNVBJPA-UHFFFAOYSA-N	217.272	1.289	0	30	BDAC	
CC(C)(C)OC(=O)N1CC[C@H](C(=O)CF)C1	142575772	APNLKHFXFBCPAA-QMMMGPOBSA-N	231.267	1.782	0	30	BDAC	
COC(=O)c1ccc2c(c1)CC[C@H]2CO	261305612	TXMPLJRXZNYTKV-JTQLQIEISA-N	206.241	1.495	0	30	BDAC	
CC[C@@H]1OC(=O)[C@H](Cc2ccccc2)O1	39101086	VTSBVBHHINNHCA-QWRGUYRKSA-N	206.241	1.907	0	30	BDAC	
OCc1cc(COc2ccccc2F)on1	95883340	RENKVMAXGWPKHB-UHFFFAOYSA-N	223.203	1.885	0	30	BDAC	in-vitro
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1CO	84314375	NENLUIYSIMOZOY-UWVGGRQHSA-N	229.320	1.920	0	30	BDAC	
CCOC(=O)c1cc2c([nH]1)CCCC2=O	96675184	LIDPGDOLSVFKTR-UHFFFAOYSA-N	207.229	1.710	0	30	BDAC	
CCc1cc2c(CC(=O)O)ncnc2s1	126383378	GEFRLAQBBOPEAJ-UHFFFAOYSA-N	222.269	1.881	0	30	BDAC	
O=C(O)c1c(Br)nc2n1CCCC2	214457377	MYPSYSIOCDPXTP-UHFFFAOYSA-N	245.076	1.680	0	30	BDAC	
CC[C@H](C)n1[nH]cc2c(C)cc(=O)nc1-2	136121843	SDUHJXTYISLPBM-QMMMGPOBSA-N	205.261	1.956	0	30	BDAC	
O=C(O)[C@@H](O)c1nc2ccccc2s1	76163436	GFVRQDULUIFHHS-ZETCQYMHSA-N	209.226	1.414	0	30	BDAC	
CC(C)(C)OC(=O)N1CC2(CNCC2(F)F)C1	725247003	DOGQPOKUZVLPJP-UHFFFAOYSA-N	248.273	1.462	0	30	BDAC	
CCOC(=O)[C@H](C(C)=O)[C@@H]1CCCC1=O	584879908	SWKXEGKWOQENLT-PSASIEDQSA-N	212.245	1.124	0	30	BDAC	
CN1CCCC[C@H]1COC(=O)n1ccnc1	39110531	WGIVJCWMHUHADR-JTQLQIEISA-N	223.276	1.352	0	30	BDAC	
CCOC(=O)c1nnc(C(F)(F)F)o1	95642146	UEWHDKZLUMERPH-UHFFFAOYSA-N	210.111	1.265	0	30	BDAC	in-vitro
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@H]2S(=O)(=O)O	105067696	LKTRVKICUSKZGA-MATHAZKKSA-N	232.301	1.268	0	30	BDAC	
O=C1CC[C@@H](C(=O)O)[C@@H]1Cc1ccccc1	33710756	XUZNWUPKDRCVGX-MNOVXSKESA-N	218.252	1.909	0	30	BDAC	
CN1CCC=C2c3ccccc3[C@H](O)[C@@H]21	31274359	YSVNTYMQDHASPW-OLZOCXBDSA-N	201.269	1.821	0	30	BDAC	
C[C@@H](O)C1=Cc2ccccc2C(=O)C1=O	39096283	BDCMHJPWOKIQID-SSDOTTSWSA-N	202.209	1.216	0	30	BDAC	
COc1cccc(C(=O)Cc2ncc[nH]2)c1	36946679	VTEPKHBQOLUYBN-UHFFFAOYSA-N	216.240	1.844	0	30	BDAC	in-vitro
CCOC(=O)c1nc2c(cc1C)NCCC2	34409118	IFBUGKJEMCQULX-UHFFFAOYSA-N	220.272	1.925	0	30	BDAC	
CC(C)Oc1cccc([C@@H](N)CC(=O)O)c1	40641091	UQYQZDUNSWFSNB-NSHDSACASA-N	223.272	1.948	0	30	BDAC	
O=C1OCCOC12CCC(F)(F)CC2	521399636	AHTWJUKMPVINOO-UHFFFAOYSA-N	206.188	1.508	0	30	BDAC	in-vitro
COc1cc(OC)c([C@@H]2C[C@H]2N)cc1OC	33756448	WRUZWMMBYLENFM-IONNQARKSA-N	223.272	1.527	0	30	BDAC	
Fc1cccc(-c2nc3c([nH]2)CCNC3)c1	76646186	XLOIQMZXMZESLU-UHFFFAOYSA-N	217.247	1.862	0	30	BDAC	
OC[C@H]1CC1(Br)Br	136326975	WGGWTNZMORMBKX-GSVOUGTGSA-N	229.899	1.485	0	30	BDAC	
CC[C@@H](CO)CNC(=O)OC(C)(C)C	144980048	KNSROTBVKXGNJD-MRVPVSSYSA-N	203.282	1.530	0	30	BDAC	
CSc1nc(Cl)c2c(n1)NCCNC2=O	238387609	KQIUYOONVVCUOW-UHFFFAOYSA-N	244.707	1.007	0	30	BDAC	
CCCC(=O)C(=CN(C)C)C(=O)OCC	34204213	SJQPDMAJOTXKPI-UHFFFAOYSA-N	213.277	1.364	0	30	BDAC	
NC1(c2cccc(N3CCOCC3)c2)CC1	83006559	RIHBTUWMJQKYOV-UHFFFAOYSA-N	218.300	1.471	0	30	BDAC	
CC(C)(CO)NC(=S)Nc1ccc(F)cc1	71862	ZJXXTWHEVYJPJJ-UHFFFAOYSA-N	242.319	1.883	0	30	BDAC	
O=C(O)CNC(=S)Nc1ccc(F)cc1	72037	BZAJCBMLEHTBGY-UHFFFAOYSA-N	228.248	1.197	0	30	BDAC	
CC[C@H](C)[C@H](NC(=O)c1ccco1)C(=O)O	159354	KUVZWSNPIJOQJP-CBAPKCEASA-N	225.244	1.509	0	30	BDAC	
C[C@H](N)C1(n2cc(Br)cn2)CC1	1535364234	QUJCLIJRNHNGJK-LURJTMIESA-N	230.109	1.482	0	30	BDAC	
CC(=O)Nc1cc2c(cc1F)CC(=O)N2	39124239	MDWOFFGXAVNCEU-UHFFFAOYSA-N	208.192	1.279	0	30	BDAC	
COC(=O)c1ccc(N)c(OC)c1Cl	98209983	WOTIERNWIIJBTF-UHFFFAOYSA-N	215.636	1.717	0	30	BDAC	in-vitro
C[C@@H]1CCN[C@H](C)[C@H]1NC(=O)C(F)(F)F	238853829	LGJUIJNHRURUAE-QYNIQEEDSA-N	224.226	1.051	0	30	BDAC	
CCOC(=O)c1cc(C)nc(OC)c1N	2524956	OHPWHVJALOCQHH-UHFFFAOYSA-N	210.233	1.158	0	30	BDAC	
CC(C)CCCC[C@H](O)[C@H]1C(=O)OC[C@@H]1CO	15044362	XRKZVXDFKCVICZ-SRVKXCTJSA-N	244.331	1.345	0	30	BDAC	
CCOC(=O)[C@H]1CCC(=O)N[C@@H]1C(F)(F)F	261133990	MXJOFEDTZYZRAR-FSPLSTOPSA-N	239.193	1.007	0	30	BDAC	
CC(C)n1cc2ncc(C(=O)O)cc2n1	685949742	WPANVLINDRIKCR-UHFFFAOYSA-N	205.217	1.710	0	30	BDAC	
O=S(=O)(O)c1cccc2c1CCCC2	6093844	PIZCOZCKSFVGNE-UHFFFAOYSA-N	212.270	1.812	0	30	BDAC	
O=C(O)c1cc(=O)[nH]c(C2CCCC2)n1	71478841	ABNJQFRZEQANQP-UHFFFAOYSA-N	208.217	1.126	0	30	BDAC	
O=C(O)C(C(=O)O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2	2265289693	PJDWEIFODWCDAV-LZFPZTGBSA-N	238.283	1.988	0	30	BDAC	
C1CCc2nnc([C@@H]3CC34CCNCC4)n2CC1	71790262	FLRDEDACVZOAKE-NSHDSACASA-N	246.358	1.862	0	30	BDAC	in-vitro
COc1ccccc1CNC(=S)N(C)C	104573	ZPHMWUSUIKCRFX-UHFFFAOYSA-N	224.329	1.631	0	30	BDAC	
CCc1cccc(Br)[n+]1[O-]	39100810	RYMSPPQBKBRUQJ-UHFFFAOYSA-N	202.051	1.645	0	30	BDAC	
O=C(O)CC1CCN(c2ccncc2)CC1	86573323	BOWIYWCUXAIUAB-UHFFFAOYSA-N	220.272	1.773	0	30	BDAC	
Ic1nnn2ccccc12	238588648	HIYOPCTYIZFFFU-UHFFFAOYSA-N	245.023	1.334	0	30	BDAC	
CCOC1=CC(=O)[C@@H](CC(=O)OC)CC1	39099931	WBQFTEAXYUBQAH-MRVPVSSYSA-N	212.245	1.449	0	30	BDAC	
Sc1nc(Br)nc2nc[nH]c12	82048860	FAQOJEGXUUBBIW-UHFFFAOYSA-N	231.078	1.404	0	30	BDAC	
CCOC(=O)[C@H](F)CC(OCC)OCC	74942154	XKUOYWPHDDHSKU-MRVPVSSYSA-N	222.256	1.677	0	30	BDAC	in-vitro
C/C=C/C[C@@H](NC(=O)OC(C)(C)C)C(=O)O	38351293	ZKNUNOYJLHQVGB-HQZHTGGTSA-N	229.276	1.931	0	30	BDAC