smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(c1ccccc1O)N(CC#Cc1ccccc1)C1CCCC1	63846456	XFJKXHZLROPIJQ-UHFFFAOYSA-N	319.404	3.829	30	50	DHEA	
N#CCc1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1	72140615	HFQBTRXPLJBUOR-UHFFFAOYSA-N	302.736	3.726	30	50	DHEA	
COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(OC)c1	4010252	XGCZAUGJPNDKBM-BJMVGYQFSA-N	313.309	3.508	30	50	DHEA	
C=CCn1cc(CN(C)Cc2[nH]c3ccccc3c2C)c(C)n1	55168249	BKCKYYQMWBUXER-UHFFFAOYSA-N	308.429	3.799	30	50	DHEA	
O=[N+]([O-])c1ccc(OC(C(F)(F)F)C(F)(F)F)c(F)c1	169725325	WRIRRCLQZRHOAN-UHFFFAOYSA-N	307.121	3.606	30	50	DHEA	
CCc1nc([C@@H](C)/N=C(/O)NC2CCC(F)(F)CC2)cs1	330517496	FJYACNSIFHLKNB-SECBINFHSA-N	317.405	3.848	30	50	DHEA	
CCOc1ccc(-c2nc(C#N)c(NCc3ccco3)o2)cc1	2836231	HSFNDXSHGLGXTG-UHFFFAOYSA-N	309.325	3.817	30	50	DHEA	
C=CC[C@H](CC)NC(=O)Nc1cccc(NC(=O)C(C)C)c1	253430076	HWJJDCYTQKZQKL-ZDUSSCGKSA-N	303.406	3.757	30	50	DHEA	
CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@H]4[C@H]3CC[C@]12C	253624349	OGUASZAAVFYYIL-PJBUMPDVSA-N	314.425	3.836	30	50	DHEA	in-vitro
COc1ccc(Cl)cc1NC=C1C(=O)CC(C)(C)CC1=O	260249	LDPZUKKFJDNUIP-UHFFFAOYSA-N	307.777	3.603	30	50	DHEA	
CN(C)/C=C/C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1	1401666	KFDBDKGCIUPTGG-MDZDMXLPSA-N	310.328	3.892	30	50	DHEA	
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C	3815424	IMSSROKUHAOUJS-MJCUULBUSA-N	310.437	3.916	30	50	DHEA	fda
Cc1ccc(Cl)cc1NC(=O)CSc1ncccc1C#N	7051427	RCFRIMCDBMMNGB-UHFFFAOYSA-N	317.801	3.646	30	50	DHEA	
C[C@H](/N=C(\NC#N)Nc1cccc2ncccc12)c1ccccc1	100060642	PQYCRDPLPKGSME-AWEZNQCLSA-N	315.380	3.835	30	50	DHEA	in-vitro
N#CC1=NNc2ccccc2OCCCOc2ccccc2N=N1	254384362	USKNLEATPVQIAY-UHFFFAOYSA-N	321.340	3.881	30	50	DHEA	
N#CCc1c(F)cc(Br)c(Br)c1F	263623601	IXUAJOVANUYNKH-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
Fc1ccc(-c2nc(/C=N/OCc3cccnc3)cs2)cc1	2325749942	INVGPQMSRIISRT-DJKKODMXSA-N	313.357	3.895	30	50	DHEA	
C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O	3919580	OSVMTWJCGUFAOD-KZQROQTASA-N	302.414	3.973	30	50	DHEA	biogenic,world
C(=N/N=C1\NC2(CCCCC2)Cc2ccccc21)\c1ccncc1	13533436	GBHIUXCJASAWIR-PXLXIMEGSA-N	318.424	3.711	30	50	DHEA	
C=CCN(Cc1ccccc1OC)C(=O)c1cccc(N(C)C)c1	55404089	OOHNXGCXOUXDMX-UHFFFAOYSA-N	324.424	3.590	30	50	DHEA	
C[C@H]1[C@H]2C[C@@H](CC(C)(C)C2)N1CC(=O)[C@@H](C#N)c1ccccc1	226795394	MPCQATJIMCXBFJ-DKIMLUQUSA-N	310.441	3.762	30	50	DHEA	
N#CCSc1nc2c(c(-c3cccnc3)c1C#N)CCCC2	2740775	KQWKROXJBVFRSR-UHFFFAOYSA-N	306.394	3.510	30	50	DHEA	
O=C1C(=Cc2cnc(N3CCCCC3)s2)C(=O)c2ccccc21	4051287	SCJLSBXQBJBNOD-UHFFFAOYSA-N	324.405	3.596	30	50	DHEA	
COc1ccc(C(=O)/C=C/Nc2ccc([N+](=O)[O-])cc2C)cc1	4982072	BBERUYRNESQWMA-MDZDMXLPSA-N	312.325	3.720	30	50	DHEA	
C#CCCC1(CCC(=O)NCCCn2ccc3ccccc32)N=N1	2325885763	HQKXZXUIIBFZNN-UHFFFAOYSA-N	322.412	3.503	30	50	DHEA	
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CC#N)cc1	12380804	LVIHEGQITHRFAH-GFCCVEGCSA-N	314.772	3.812	30	50	DHEA	
Cc1cc(C)c(C#N)c(-c2ccc([C@H](C)N3CCOCC3)cc2)n1	67909748	FPGFLYJWWHBLQM-INIZCTEOSA-N	321.424	3.630	30	50	DHEA	
F[C@@H](C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)F	95676653	JOROOXPAFHWVRW-REOHCLBHSA-N	300.067	3.694	30	50	DHEA	in-vitro
C[C@@](O)(C#CCN1CCCC[C@H]1c1cccnc1)c1ccccc1	248319353	QEJMNZRTUNAIPH-LEWJYISDSA-N	320.436	3.520	30	50	DHEA	biogenic
C=CCOc1ccccc1NC(=O)N(C)CCC[C@@H]1CCCO1	96148859	RHCMGERGXJVHGW-OAHLLOKOSA-N	318.417	3.674	30	50	DHEA	
N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2[C@@H]2CCCc3ccccc32)c1	365784761	GJWVVIPCRCXPQW-IEBWSBKVSA-N	319.408	3.611	30	50	DHEA	
C=CCc1cc(C)ccc1C[C@H](O)Cn1c(C)nc2ccccc21	72753	LSMVFKXHKZIEER-IBGZPJMESA-N	320.436	3.985	30	50	DHEA	
COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1OC(C)C	88988	UBIFTQWUFINAPC-UHFFFAOYSA-N	322.360	3.945	30	50	DHEA	
Cc1cc(C)cc(N/C(S)=N\Cc2ccc3c(c2)OCO3)c1	306285	JOWXEBIOVMVJTB-UHFFFAOYSA-N	314.410	3.930	30	50	DHEA	
COc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1Cl	458819	QSPBHDUBGJRZSP-UHFFFAOYSA-N	304.708	3.612	30	50	DHEA	
N#CCc1ccc(NC[C@@]2(c3ccc(F)cc3)CCOC2)cc1	20818692	BWHQMFBHIOVJIX-IBGZPJMESA-N	310.372	3.662	30	50	DHEA	
C=CCc1cc(C)ccc1OCCn1cnc2ccccc2c1=O	235618	ZYYKZQRTYLEBHF-UHFFFAOYSA-N	320.392	3.512	30	50	DHEA	
COc1ccc(/C=C/C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	439397	YHPCOAIOELXCCP-ZVSIBQGLSA-N	309.321	3.899	30	50	DHEA	
Cc1ccc(/C=N/NC(=S)Nc2cccc(Cl)c2)cc1	4360418	XXWDLKQRCIPESI-LICLKQGHSA-N	303.818	3.969	30	50	DHEA	
O=[N+]([O-])c1ccc(N/N=C/c2ccc(Br)cc2)cc1	4990413	RENPHZLBPTWBHU-OQLLNIDSSA-N	320.146	3.803	30	50	DHEA	
Cc1ncc(N=C(O)c2scnc2C2CC2)c(C2CC2)n1	328774159	KFISHMHUVWFKJG-UHFFFAOYSA-N	300.387	3.633	30	50	DHEA	
C#Cc1ccc([C@@H]2CCCN2C(=O)c2cccnc2Cl)cc1	1875387248	XHDNBPJMXOOXPU-INIZCTEOSA-N	310.784	3.694	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2cccnc2Cl)cc1	1875387249	XHDNBPJMXOOXPU-MRXNPFEDSA-N	310.784	3.694	30	50	DHEA	
COC(=O)C1=CC(=O)CC[C@H]1C1c2ccccc2-c2ccccc21	3080865	VMBGGUCXWRVEPT-GOSISDBHSA-N	318.372	3.877	30	50	DHEA	
Cc1ccc(-c2cc(C#N)c(=O)n(Cc3ccccc3)c2)cc1	3133743	KWKCDZFEEQGIFG-UHFFFAOYSA-N	300.361	3.744	30	50	DHEA	
CCOc1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1	4750024	ORYSDVBWMJGROS-UHFFFAOYSA-N	300.383	3.888	30	50	DHEA	
O=C(O/N=C1/CCSc2ccccc21)c1ccc(F)cc1	4755977	OXQRVHUJZIEIEH-JXAWBTAJSA-N	301.342	3.883	30	50	DHEA	
O=[N+]([O-])c1ccc(N/N=C/CCc2ccccc2)c([N+](=O)[O-])c1	12376231	VYACQSBKFHFBMC-MHWRWJLKSA-N	314.301	3.534	30	50	DHEA	
Cc1ccc(-c2nc(N)c(C#N)c(-c3c[nH]c(C)n3)c2C)cc1	67603738	YBSUZZPKQYWGCJ-UHFFFAOYSA-N	303.369	3.518	30	50	DHEA	
C=CC[C@]1(C(=O)O)CCCN(C/C=C/c2ccc(F)cc2)C1	91444910	RIKABOIQGBAPAC-YZTRRJNXSA-N	303.377	3.582	30	50	DHEA	
C=CCN(C)C(=O)Nc1cccc(CN2CCCC[C@@H]2C)c1	96152394	VLYWTLVKFKOFKP-HNNXBMFYSA-N	301.434	3.711	30	50	DHEA	
N#CCC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1	187894929	RMLCRSXNEYDFGR-QGZVFWFLSA-N	310.784	3.880	30	50	DHEA	
CC(C)(C)[C@H]1OCC[C@@H]1c1noc(C2(C#N)CCCCC2)n1	190374792	PBKQJOXFGTYBOA-STQMWFEESA-N	303.406	3.714	30	50	DHEA	
Cc1sc(N=C(O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c(C)c1C	328631627	RDALGALUQWLHFA-UONOGXRCSA-N	319.430	3.773	30	50	DHEA	
Cc1cnc([C@H](C)/N=C(/O)CCc2nc(C3CCCC3)no2)o1	329409756	CTNFLQQNSABIMS-NSHDSACASA-N	318.377	3.674	30	50	DHEA	
C=C(C)[C@@H]1CC=C(CN2CCC(C(=O)N3CCCC3)CC2)CC1	952961601	DTMUBFWWPFGHGO-GOSISDBHSA-N	316.489	3.623	30	50	DHEA	
C[C@@H]1Cc2cc(-n3ccnc3-c3ccccc3C#N)ccc2O1	1772818419	DJWLNKKTNGMZDU-CYBMUJFWSA-N	301.349	3.734	30	50	DHEA	
N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnccc1C(F)(F)F	1875284869	RNWWZFDLBJBLCN-INIZCTEOSA-N	317.314	3.749	30	50	DHEA	
Cc1n(C)c2ccccc2[n+]1CC(=O)c1ccc(C(C)(C)C)cc1	3251487	JSHKKSGQFCBUSK-UHFFFAOYSA-N	321.444	3.955	30	50	DHEA	
C=CCC(=O)N[C@@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1	15080763	XUADOJIZZSZGRO-LJQANCHMSA-N	314.473	3.542	30	50	DHEA	
CCc1ccc(-c2cc(-c3cccc(O)c3)nc(N)c2C#N)o1	67802985	VKFKQCKNIOETCM-UHFFFAOYSA-N	305.337	3.730	30	50	DHEA	
COc1cccc(OC)c1-c1cc(C(C)(C)C)nc(N)c1C#N	71754307	DXOUJPDCLDACEA-UHFFFAOYSA-N	311.385	3.517	30	50	DHEA	
C[C@@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)c1cccs1	159634333	HXCSUPGKWKBOAG-RDTXWAMCSA-N	312.438	3.883	30	50	DHEA	
N#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nccs2)cc1	176255689	VPVFHWMMUNKDRC-CQSZACIVSA-N	312.398	3.774	30	50	DHEA	
N#Cc1ccc(C(=O)N2CC(Cc3ccccc3Cl)C2)cc1	364254844	FEJXUCFRCSMSKN-UHFFFAOYSA-N	310.784	3.526	30	50	DHEA	
C[C@@]1(C#N)CCCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)C1	426523754	YHOAFZYGOXRFBY-FQEVSTJZSA-N	320.392	3.825	30	50	DHEA	
C=CCc1cc(Cl)ccc1OCCOCCN[C@@H](C)CC	2825118	NTMDDOAKWDGYIA-AWEZNQCLSA-N	311.853	3.852	30	50	DHEA	
CCn1c(NC(=O)c2ccc(C)cc2C)nc2cc(C#N)ccc21	131762235	SEPUAPJOIREFDO-UHFFFAOYSA-N	318.380	3.797	30	50	DHEA	
COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(C)cc2)cc1	1246216	AROZNJWMQROWNO-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
CCN(CC)c1ccc(/C=N/c2ccc(C(=O)O)c(O)c2)cc1	2154753	HQOYYEVJZFIXHT-XDHOZWIPSA-N	312.369	3.687	30	50	DHEA	
CCOC(=O)c1sc(N/N=C/c2cccc(Cl)c2)nc1C	3959011	KJOPZWSOTUBGDI-LZYBPNLTSA-N	323.805	3.728	30	50	DHEA	
C=CCN(CC=C)C(=O)c1cc(Cc2ccccc2Cl)no1	14995369	BASAVRDNFFUNQT-UHFFFAOYSA-N	316.788	3.733	30	50	DHEA	
C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@@H](c2ccsc2)O1	156416301	OFZLFSSGSPASBO-HIFRSBDPSA-N	318.442	3.511	30	50	DHEA	
N#Cc1cc(Cl)cc(-c2cc(-c3ccc(F)cn3)ncn2)c1	220897715	FQAXDSVNYVVQSE-UHFFFAOYSA-N	310.719	3.870	30	50	DHEA	in-vitro
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]2CCCC[C@H]21	230197788	ZYLXMHNHDITQPN-QILLFSRXSA-N	312.413	3.507	30	50	DHEA	
Cc1nn(C)c(C)c1N=C(O)CN1[C@H]2CC[C@H]1c1ccccc12	329851873	RDILMQPYVVVTPG-HOTGVXAUSA-N	310.401	3.517	30	50	DHEA	
CN(C(=O)CC#N)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	368411640	ISJNSISVXOQFTK-ZIAGYGMSSA-N	310.319	3.714	30	50	DHEA	
C/C(=N\Nc1ncncc1Cl)c1cccc(C(F)(F)F)c1	1875264287	HCIKQVYHPIZKQT-DNTJNYDQSA-N	314.698	3.985	30	50	DHEA	
Cc1cc(N2CCC(C)CC2)n2c(nc3ccccc32)c1C#N	45289	QZCXHMSVCKOSKJ-UHFFFAOYSA-N	304.397	3.904	30	50	DHEA	
C=CCc1ccccc1OCCCCN1C[C@H](C)O[C@@H](C)C1	20167323	HAXWKPMSXNFRIR-IRXDYDNUSA-N	303.446	3.683	30	50	DHEA	
Cc1ccc(/C(O)=N/[C@](C)(c2noc(C)n2)C2CC2)c(Cl)c1	328593228	NWFKEABMQQZYRF-INIZCTEOSA-N	319.792	3.970	30	50	DHEA	
O=C([C@@H]1CO1)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1	1875372230	ANMULFSRAHCVPZ-KBPBESRZSA-N	313.319	3.548	30	50	DHEA	
N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)nc1N	19608463	LHSOPCMBYJYNOU-UHFFFAOYSA-N	316.320	3.778	30	50	DHEA	
COB(OC)c1cc2ccc1CCc1ccc(cc1C(C)C)CC2	169872359	MOUGCMQZXYTWPY-UHFFFAOYSA-N	322.257	3.682	30	50	DHEA	
CC1(C)OB(c2ccc(-c3cncs3)cc2Cl)OC1(C)C	310013093	LRRYQOMKWWBVOD-UHFFFAOYSA-N	321.638	3.763	30	50	DHEA	
C[C@@]1(C#N)CCCN(Cc2cc(F)cc(C(F)(F)F)c2)C1	612405649	BYVCPYVRZYYOKZ-AWEZNQCLSA-N	300.299	3.970	30	50	DHEA	
FC(F)(F)c1csc(N/N=C2/COC3(CCCC3)C2)n1	2325792822	OKYTXRJVGVRFKS-CAOOACKPSA-N	305.325	3.663	30	50	DHEA	
Cc1ccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)cc1	5968167	TZJIUJNGWLMYRE-VCHYOVAHSA-N	312.373	3.564	30	50	DHEA	
Cc1c(COc2ccccc2)cccc1NC(=O)N[C@@H](C)CC#N	161646107	XTRIQRDQOSZODB-AWEZNQCLSA-N	323.396	3.998	30	50	DHEA	
N#CCc1c(F)c(Br)cc(Br)c1F	263622866	BNVGSBSSVKRBJI-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
CCc1nc(C)c(/C(O)=N/C[C@H](C)c2c(C)noc2C)s1	330407489	OPIFMMAYNWETOV-QMMMGPOBSA-N	307.419	3.727	30	50	DHEA	
C=CCNC(=O)[C@@H]1CC1(c1cccc(C)c1)c1cccc(C)c1	2188557	ODKBHDUQLBKDTK-IBGZPJMESA-N	305.421	3.912	30	50	DHEA	
COc1ccc(/C=C/c2ncccc2C#N)cc1Br	253426037	MKSLGOMCWQPKJH-GQCTYLIASA-N	315.170	3.895	30	50	DHEA	
COC(=O)c1cc(CN[C@H](C)c2ccc(C#N)cc2)c(C)s1	271703254	UKGVSNPHFAVJHG-LLVKDONJSA-N	314.410	3.566	30	50	DHEA	
COc1ccccc1-c1nnc(SCc2ccc(C#N)cc2)o1	13847166	DILYPBVBKCOPIK-UHFFFAOYSA-N	323.377	3.909	30	50	DHEA	
C=CCNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1	267615078	KMQDQIGBQMGSEP-UHFFFAOYSA-N	301.390	3.513	30	50	DHEA	
CC1(C)OB(c2cccc(CC[Si](C)(C)C)c2)OC1(C)C	409420652	DYFHHTQWUAYBCU-UHFFFAOYSA-N	304.315	3.867	30	50	DHEA	
C=CCOc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1	2694760	KNJRWFWJKJEJPT-UHFFFAOYSA-N	312.394	3.629	30	50	DHEA	
COc1ccccc1/C=C/c1nc(C#N)c(N2CCCCC2)o1	4839596	QAFJMUJCDIMTMX-MDZDMXLPSA-N	309.369	3.716	30	50	DHEA	
C=CCC1(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)CCC1	191111359	DMXPPXYXEXHJTB-MRXNPFEDSA-N	321.367	3.611	30	50	DHEA	
CCc1ccc([C@H](CNc2oc(C)nc2C#N)N2CCCC2)cc1	238923568	OVHQUYUFTOZPMI-SFHVURJKSA-N	324.428	3.666	30	50	DHEA	
COc1ccc(C(=O)/C=C/Nc2ccc(O)cc2C)cc1OC	463046	UUTGWHQOESOYIQ-CMDGGOBGSA-N	313.353	3.526	30	50	DHEA	
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1	2770790	REFFUKDNGCERQY-STQMWFEESA-N	306.291	3.724	30	50	DHEA	
CCNC(=S)N/N=C/c1c2ccccc2cc2ccccc12	4329561	PPVXQFXSZITMGN-UDWIEESQSA-N	307.422	3.811	30	50	DHEA	
C=C(C)COc1ccc(C(=O)N2CC[C@@H](COCCC)C2)cc1	55211500	ZZQMWLIRVDBVSK-MRXNPFEDSA-N	317.429	3.530	30	50	DHEA	
C#CCCC1(CCC(=O)N[C@H]2CCc3cc(Cl)ccc32)N=N1	952881583	OFJBIBJAEQKNIS-HNNXBMFYSA-N	315.804	3.799	30	50	DHEA	
C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1Cl	1926455	JTJNFPOFJCTDGR-UHFFFAOYSA-N	314.772	3.508	30	50	DHEA	
C=CCNc1ncc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)s1	128952576	DXMXQEWJHUBXFY-KRWDZBQOSA-N	317.458	3.704	30	50	DHEA	
Cc1cc(C)c(NC(=O)CCN2CCC[C@@H](C#N)C2)c(Cl)c1	244763835	OWHFWCQZLPFFKG-AWEZNQCLSA-N	319.836	3.521	30	50	DHEA	
C[C@H](NC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ccc(C#N)cc1	266562642	NSKIBFBWQRTWHT-ONTRVFCTSA-N	316.404	3.640	30	50	DHEA	
Cc1cc(C(F)(F)F)c(C#N)c(Sc2ccc(CO)cc2)n1	2325821543	XLFOIPCHAPCELE-UHFFFAOYSA-N	324.327	3.924	30	50	DHEA	
N#CCc1ccc(NC(=O)c2ccccc2Br)cc1	94658	WCKCKZGISQZGLC-UHFFFAOYSA-N	315.170	3.767	30	50	DHEA	
COc1cccc(C(=O)/C=C/c2ccc(OC)c([N+](=O)[O-])c2)c1	5073004	SFCVUBSHFWXVCH-SOFGYWHQSA-N	313.309	3.508	30	50	DHEA	
O=[N+]([O-])c1ccc(COc2ccc(/C=N/O)cc2Cl)cc1	6926355	ROBAUYJQGQUWOH-LZYBPNLTSA-N	306.705	3.635	30	50	DHEA	
N#Cc1cnc(Sc2ncc(C(F)(F)F)cc2Cl)cn1	120439167	OKYAHSFMYUNTAT-UHFFFAOYSA-N	316.695	3.567	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C	253497478	CHNXZKVNWQUJIB-LPYKTLRWSA-N	312.453	3.883	30	50	DHEA	biogenic
C=CCN(CC=C)C(=O)/C=C/c1ccc(Br)cc1	475373	NLSUVHBOPJINEC-JXMROGBWSA-N	306.203	3.663	30	50	DHEA	
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1	2543636	QYICZKGWVKXVTD-UHFFFAOYSA-N	314.410	3.657	30	50	DHEA	
C=CCCC(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1Cl	294721396	OEQMOVHKMZGORD-QMMMGPOBSA-N	306.715	3.897	30	50	DHEA	
CC(O)=Nc1ccn([C@H]2CCN([C@@H](C)c3ccccc3F)C2)n1	328630662	QCQUYRDEMOXGAN-JSGCOSHPSA-N	316.380	3.638	30	50	DHEA	
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NCc1cc(C3CC3)on1)C2	534666258	GOLLEKKGBFJQPO-UGSOOPFHSA-N	300.402	3.551	30	50	DHEA	
N#C[C@H]1CC[C@@H](OC(=O)c2cncc(-c3ccc(F)cc3)c2)C1	1875287680	UOEDVBZHNGNPNB-YVEFUNNKSA-N	310.328	3.737	30	50	DHEA	
C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1	203336	ZBTQNFDZBZMMIU-GJZGRUSLSA-N	316.445	3.774	30	50	DHEA	
N#CCc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1	14401925	TWMXLQWXSMMVCM-UHFFFAOYSA-N	319.408	3.995	30	50	DHEA	
C=CC[C@@]1(CO)CCCN(CCOc2ccc(C)cc2Cl)C1	91754963	NZBZTTUGSDPSEX-GOSISDBHSA-N	323.864	3.678	30	50	DHEA	
C=CC[C@@H]1CC=C[C@@H](C)N1Cc1ccc(OC)c(OC)c1OC	952961357	IXAYYFYTAMIWPZ-GDBMZVCRSA-N	317.429	3.808	30	50	DHEA	
C=C(C)COc1ccc(NC(=O)c2c(CC)noc2C)cc1	823565593	PNVLZMGSUYWWMA-UHFFFAOYSA-N	300.358	3.753	30	50	DHEA	
CCOc1cc(/C=C2\N=C(SCC)SC2=O)ccc1OC	457863	MAQUDVWTQZOFJE-FLIBITNWSA-N	323.439	3.817	30	50	DHEA	
COc1ccc(-c2nnc(SCc3cccc(C#N)c3)o2)cc1	1099689	RBJPFMLEAKKOLE-UHFFFAOYSA-N	323.377	3.909	30	50	DHEA	
O[C@@](C#CCN1CCCCC1)(c1ccccc1)C1CCCCC1	2469748	IXXCPZGOFVCPCH-NRFANRHFSA-N	311.469	3.944	30	50	DHEA	
C=CCc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)c(OC)c1	4907631	XPDVCAMNVZDWBY-IYBDPMFKSA-N	303.446	3.780	30	50	DHEA	
CCCn1c(/N=C/c2ccc3c(c2)OCO3)nc2ccccc21	17823494	ZAUBFBTYBCTPOH-YBFXNURJSA-N	307.353	3.926	30	50	DHEA	
Cc1ccc(N/C(=C\C(=O)C(=O)OC(C)C)c2ccccc2)cc1	100789491	UWEKUCDZSKHIFZ-AQTBWJFISA-N	323.392	3.969	30	50	DHEA	
Cc1cc(C#N)nc(N2CC3(CCCC3)[C@H]2c2ccccc2)n1	334053215	SRUQXMSNTOQHKT-QGZVFWFLSA-N	304.397	3.778	30	50	DHEA	
Cn1c(SCc2ccccc2C#N)nnc1-c1ccccc1	468679	VTPGCAMBQVGXLA-UHFFFAOYSA-N	306.394	3.646	30	50	DHEA	
Cc1ccc(/C=N/n2c(S)nnc2-c2ccccc2C)s1	1261100	FLFSUKYHNRGEPG-CXUHLZMHSA-N	314.439	3.794	30	50	DHEA	
C=CCSc1nc(O)c2sc3nc(C)cc(C)c3c2n1	8577877	AGUUFQFNLHTQHE-UHFFFAOYSA-N	303.412	3.840	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C	253498274	VGJUOWGYQZYCII-WQNFENHCSA-N	314.469	3.674	30	50	DHEA	
C#CCCC1(CCC(=O)N2CCCC3(CCCC3)CC2)N=N1	952882959	ZMQYXLNMEQYJNO-UHFFFAOYSA-N	301.434	3.915	30	50	DHEA	
Cc1cc2c(cn1)CN(c1nc3ccccc3c(C)c1C#N)C2	1150164160	HYJDTRXUQIZHFL-UHFFFAOYSA-N	300.365	3.639	30	50	DHEA	
CC(C)[C@H](C(=O)Nc1cnc2c(c1)CCC2)c1ccc(C#N)cc1	1875329030	ZUFIMEBCIMTSFT-IBGZPJMESA-N	319.408	3.820	30	50	DHEA	
C=CCSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1	11023685	WYKJZCOCPGDUAY-UHFFFAOYSA-N	312.373	3.747	30	50	DHEA	
C=CCn1ncc(-c2nc3c(cnn3C3CCCCC3)[nH]2)c1C	19595484	IBSROYODTYTZFI-UHFFFAOYSA-N	310.405	3.623	30	50	DHEA	
CCOC(=O)[C@@H](C)[C@@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1	953019026	BICUCHDJTUIKRJ-QWHCGFSZSA-N	308.227	3.544	30	50	DHEA	
COc1ccc2c(c1)CC/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O	4957004	YMURVULUUNHUNB-GXDHUFHOSA-N	309.321	3.816	30	50	DHEA	
CN(C)c1ccc(/C=N\OC(=O)Nc2ccccc2Cl)cc1	13111903	CPNNFPSKAHNRQJ-WQRHYEAKSA-N	317.776	3.989	30	50	DHEA	
C=CC[C@@]1(S(=O)(=O)c2ccccc2)CC2CCC1(OC)CC2	45028063	FGAPQZNTELYOAN-VMWRSERWSA-N	320.454	3.754	30	50	DHEA	
CC1(C)OB(c2ccccc2CNc2ccccc2)OC1(C)C	169935332	KDVGAKIPSYHHEG-UHFFFAOYSA-N	309.218	3.598	30	50	DHEA	
CCn1cc(/C(O)=N/[C@H](c2ccc(C)cc2)c2ccccn2)cn1	328586981	ZSNAQEPYPZFIBX-GOSISDBHSA-N	320.396	3.701	30	50	DHEA	
Cc1ccc([S@@+](=O)(O)c2nc(S)sc2Cl)cc1	334158379	JZKPTBLQJFPKKG-UHFFFAOYSA-O	306.841	3.784	30	50	DHEA	
CC(C)(C)OC(=O)NCC12CC(B3OC(C)(C)C(C)(C)O3)(C1)C2	953095528	VCGAUEPTWPHZNM-UHFFFAOYSA-N	323.242	3.528	30	50	DHEA	
C#C[C@H]1CCC[C@@H](CNC(=O)CCc2cncc3ccccc23)C1	2325784063	YBHBEYVUDUWSIT-DLBZAZTESA-N	320.436	3.723	30	50	DHEA	
Brc1cc2c(cc1/C=N/Nc1ccccc1)OCO2	4412266	RNNAIEGOHGZMPJ-LZYBPNLTSA-N	319.158	3.624	30	50	DHEA	
N#Cc1ccccc1NC(=O)c1ccc(-n2cccc2)c(F)c1	110162411	RUGQWEKVCQZBIF-UHFFFAOYSA-N	305.312	3.740	30	50	DHEA	
CC[C@H](CC#N)NC(=O)Nc1cccc(Oc2ccncc2)c1	157437684	UWFGRXFPVOAHPW-CYBMUJFWSA-N	310.357	3.688	30	50	DHEA	
CC1=CCCN(C(O)=Nc2cnn(CC(C)C)c2C(F)F)C1	331214791	BYAOVGCAWYRJTC-UHFFFAOYSA-N	312.364	3.674	30	50	DHEA	
C#CCCC1(CCC(=O)N[C@H](c2ccccc2)C2CCC2)N=N1	952881606	ORUXDBJGMGPRBY-GOSISDBHSA-N	309.413	4.000	30	50	DHEA	
C[C@H]1CCCN(c2oc(COc3ccccc3F)nc2C#N)C1	1775977842	XQNUTLCMQWKYDZ-LBPRGKRZSA-N	315.348	3.501	30	50	DHEA	
Cc1nc(NC(=O)c2cc(C#N)c[nH]2)cc(-c2ccccc2)c1C	2100473192	FJRJOAMYNZDMGR-UHFFFAOYSA-N	316.364	3.818	30	50	DHEA	
CCCSC1=N/C(=C\c2ccc(OC)cc2OC)C(=O)S1	4905579	YWHKOBUHCGZORC-WQLSENKSSA-N	323.439	3.817	30	50	DHEA	
C[C@@H]1CN(c2nc3c(cc2C#N)C(C)(C)CC(C)(C)C3)C[C@@H]1F	2325855595	HHVVXECZZRICCN-DOMZBBRYSA-N	315.436	3.997	30	50	DHEA	
O[C@H](C#CC(O)(c1ccccc1)c1ccccc1)c1cccs1	274119	YTAFGVXSKYABBM-GOSISDBHSA-N	320.413	3.721	30	50	DHEA	
CN(C)/C=N/c1ncc(C(=O)c2ccc3ccccc3c2)s1	20367935	IHHSPQVELDNNDN-YBFXNURJSA-N	309.394	3.749	30	50	DHEA	
C=CCOc1ccccc1OCCCCN1C[C@@H](C)O[C@H](C)C1	20653525	XNCYFUOYDVEMBK-IAGOWNOFSA-N	319.445	3.520	30	50	DHEA	
N#Cc1cnc(N2CCCCC[C@H]2/C=C/c2ccccc2)cn1	129989884	CPYGWPYOZZNUEZ-ZGKFYVQTSA-N	304.397	3.811	30	50	DHEA	
N#Cc1ccc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)s1	275357975	AQUSANURGDZPDD-INIZCTEOSA-N	312.442	3.559	30	50	DHEA	
CC(O)=Nc1ccn([C@@H]2CCN(Cc3c(C)cccc3C)C2)n1	328637602	WBPDOHMCUKPZOK-MRXNPFEDSA-N	312.417	3.555	30	50	DHEA	
C#CCCC1(CCC(=O)N2CCc3ccccc3C2(C)C)N=N1	952879977	CQAJGYWOQPQMGM-UHFFFAOYSA-N	309.413	3.662	30	50	DHEA	
C=C(OC)[C@@]1(C)C[C@H]2[C@H](C[C@@H](C)[C@@H]2OCc2ccccc2)C1=O	71786759	UWASYMZCEARFBW-DMXCXFHSSA-N	314.425	3.983	30	50	DHEA	
O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1cccs1	100048042	QHOQGOZSTQAYRH-UHFFFAOYSA-N	322.201	3.723	30	50	DHEA	
CCS[C@H]1CCCCN(Cc2cn3ccccc3c2C#N)C1	170625707	RJIOZBMJKCZMKW-INIZCTEOSA-N	313.470	3.919	30	50	DHEA	
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21CC	261508782	WWYNJERNGUHSAO-QKKHWQHCSA-N	312.453	3.883	30	50	DHEA	
CC(C)(C/C(O)=N/C[C@@H]1CCCS1(=O)=O)C1CCCCC1	330018376	SQZZZPDZLQQCRB-AWEZNQCLSA-N	315.479	3.517	30	50	DHEA	
C=CCN(Cc1ccsc1)C(=O)c1c(O)nc(C)c(C)c1C	1506397050	OKTZSKLCXNSEMK-UHFFFAOYSA-N	316.426	3.602	30	50	DHEA	
Cc1ccc([C@@H](F)CNC2CC(C#N)(c3ccccn3)C2)cc1C	2325777783	DGFMGZNCFYRMRZ-FDYSRKEFSA-N	323.415	3.923	30	50	DHEA	
CCCSC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)S1	4906779	MGMFJJKLBUVUQW-FLIBITNWSA-N	308.384	3.708	30	50	DHEA	
Cc1ccc(/C(N)=N/OC(=O)c2ccc(Cl)cc2Cl)cc1	5091050	MJTMHDVNFZKGED-UHFFFAOYSA-N	323.179	3.779	30	50	DHEA	
COCc1cc(C)nc2sc(-c3ccc(C#N)cc3)c(N)c12	6659367	XBZXJSHUHNTSHD-UHFFFAOYSA-N	309.394	3.872	30	50	DHEA	
N#Cc1cc(C#N)c(S[C@@H]2CCCCc3ccccc32)nc1N	170650866	YEFCHAWEJHXJFN-MRXNPFEDSA-N	320.421	3.967	30	50	DHEA	
CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1	4353002	PNSVICPSMTUZNX-AWNIVKPZSA-N	308.381	3.607	30	50	DHEA	
C/C(=N\Nc1cc(-c2ccccc2)nc(C)n1)c1ccc(N)cc1	4595542	DFYVGCMUSYWASE-YDZHTSKRSA-N	317.396	3.870	30	50	DHEA	
N#Cc1ccccc1CN(Cc1ccsc1)C[C@@H]1CCCO1	55099938	JZYUOJBXLZDRGX-SFHVURJKSA-N	312.438	3.801	30	50	DHEA	
Cc1cc(CNCc2cc(C#N)n(C)c2C)c2[nH]c(C)c(C)c2c1	225549393	PIDLXDVNAPRPAM-UHFFFAOYSA-N	320.440	3.902	30	50	DHEA	
C#CCCN(CC(F)(F)F)C(=O)Nc1cccc2c1ccn2C	1616035100	RCDQXHOTUWCAOW-UHFFFAOYSA-N	323.318	3.598	30	50	DHEA	
COc1ccc(NC2=CC(=O)C[C@@H](c3ccco3)C2)cc1OC	302826	VWWWVTPFWZOBRA-LBPRGKRZSA-N	313.353	3.739	30	50	DHEA	
CCOC(=O)C(CC)(CC)C(=O)/C=C/c1ccc(N(C)C)cc1	2191511	IVGWNAMZAUVFJU-SDNWHVSQSA-N	317.429	3.704	30	50	DHEA	
COc1ccc([C@H](C)/N=C(/S)NCc2ccc(F)cc2)cc1	13932741	DTTLWOVQNSOJRL-LBPRGKRZSA-N	318.417	3.971	30	50	DHEA	
CO[C@H]1CCCCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N	170652911	WQHDXIRWBAJIDH-NEPJUHHUSA-N	313.323	3.732	30	50	DHEA	
Fc1ccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)cc1	244774246	PQLZJFWFQHLOLW-UHFFFAOYSA-N	317.795	3.635	30	50	DHEA	
CC[C@H](C)n1ncc(N=C(O)N2CCC(F)(F)C2)c1C1CC1	329225480	GIGBJBJXOJXYBH-JTQLQIEISA-N	312.364	3.618	30	50	DHEA	
C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1c1cncc(C#N)n1	420606422	XWLMTGJSJOLPDN-SECBINFHSA-N	319.195	3.779	30	50	DHEA	
C=CCNc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12	1774811	WSKZEJYGWMYVSR-UHFFFAOYSA-N	306.325	3.803	30	50	DHEA	
CCC(=O)c1ccc(O)c(N=C(O)c2cccc(F)c2F)c1	328596733	WGERHOQMCCTQQK-UHFFFAOYSA-N	305.280	3.899	30	50	DHEA	
O=[N+]([O-])c1ccc(N/C(S)=N\Cc2ccc(F)cc2)cc1	4663710	NBNZOXAWELZBHE-UHFFFAOYSA-N	305.334	3.632	30	50	DHEA	
CCn1c2ccccc2c2cc(/C=N/n3c(C)nnc3C)ccc21	4951478	PCHDAEOWFCRXJW-UDWIEESQSA-N	317.396	3.905	30	50	DHEA	
C=C(C)CN1CCC(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CC1	170621961	FFNXZBDWQWGOMU-IRXDYDNUSA-N	320.521	3.996	30	50	DHEA	
COc1ccccc1CN(c1snc(Cl)c1C#N)C1CC1	170652828	QBFHYZFJWUXOIU-UHFFFAOYSA-N	319.817	3.846	30	50	DHEA	
C=CCOc1ccc(C(=O)NCc2ccccc2)cc1OCC	4829120	PBGNIGKZSNIKOF-UHFFFAOYSA-N	311.381	3.580	30	50	DHEA	
Cc1cc(N/N=C/c2ccc3c(c2)OCO3)nc2ccccc12	4834738	HYJKGOWURZPDCY-VXLYETTFSA-N	305.337	3.718	30	50	DHEA	
C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1	6729221	FSFFJNVSLPGYTC-UHFFFAOYSA-N	319.364	3.565	30	50	DHEA	
C=C(C)COc1ccc(C(=O)N(C)[C@H](C)c2cccnc2)cc1	55309108	ULCIRXZNPWIPJV-OAHLLOKOSA-N	310.397	3.870	30	50	DHEA	
Cc1cc(-n2nc(C(C)C)nc2-c2cc(F)cc(C#N)c2)ccn1	65457673	FTKPVIDFFCOBDC-UHFFFAOYSA-N	321.359	3.772	30	50	DHEA	
Cc1cccnc1N/C=C/C(=O)c1ccc(Br)cc1	100245498	BSPVLWCLDMXCKZ-CSKARUKUSA-N	317.186	3.961	30	50	DHEA	
C=CC[C@H]1C=CC[C@H](CC=C)N1C(=O)c1ccccc1[N+](=O)[O-]	289261	NFAXFQGMLZCARZ-GJZGRUSLSA-N	312.369	3.886	30	50	DHEA	
C(=N/Nc1ccc2nn(-c3ccccc3)nc2c1)\c1ccccc1	4953526	JYQQPLPMHSGHBW-XSFVSMFZSA-N	313.364	3.867	30	50	DHEA	
CC(C)(C)[C@@](C)(C#N)NC(=O)c1sccc1Br	253425307	CTEJEYLMGOAFHU-GFCCVEGCSA-N	315.236	3.569	30	50	DHEA	
CCOCCCNc1cc(C)c(C#N)c2nc3ccccc3n12	4033997	NHVFTRNXUMYJIF-UHFFFAOYSA-N	308.385	3.506	30	50	DHEA	
CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1cccc(Cl)c1	100437703	FHHAPQODHKKPSG-CYVLTUHYSA-N	312.760	3.531	30	50	DHEA	
Cc1ccc(C)c(OC2CCN(C[C@@H](C#N)CCC#N)CC2)c1	112559903	VWSMWUCFMFKWLS-QGZVFWFLSA-N	311.429	3.590	30	50	DHEA	
Cc1nsc(NC(=O)N[C@H](C)c2ccccc2Cl)c1C#N	241775883	RPWXXAFLKPVSLA-MRVPVSSYSA-N	320.805	3.859	30	50	DHEA	
c1ccc(CC/C(=N/OC2CCOCC2)c2cccnc2)cc1	1875270667	HTHGPLZDGLWDKT-VZCXRCSSSA-N	310.397	3.614	30	50	DHEA	
COc1ccc([C@@](O)(C#Cc2ccccc2)c2ccccc2)cc1	1140256	DLFBQACLKJFDBM-JOCHJYFZSA-N	314.384	3.983	30	50	DHEA	
Cc1nc2c(C(O)=Nc3cccc4c3OCC[C@@H]4O)cccc2o1	328588897	SAIQYTAJXSWLPS-AWEZNQCLSA-N	324.336	3.588	30	50	DHEA	
C=C/C(O)=N/C1(C(O)=Nc2ccc(OC)c(OC)c2)CCCC1	328599759	TXYDYLBMVJJZLE-UHFFFAOYSA-N	318.373	3.747	30	50	DHEA	
CC(C)(C)CC(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)CC1	1875368707	LTMFAFZCPPFUSK-AWEZNQCLSA-N	323.286	3.898	30	50	DHEA	
C[C@@H]1CCC[C@@H](C)C1NC1=C(Cl)C(=O)c2ccccc2C1=O	4955901	MARHGYQSTZJHAI-GHMZBOCLSA-N	317.816	3.930	30	50	DHEA	
Cc1ccc(-c2cc[n+](CC(=O)c3ccc(Cl)cc3)cn2)cc1	5683879	YBAINNGSZULUTG-UHFFFAOYSA-N	323.803	3.881	30	50	DHEA	
Cc1ccc(N/C(=C/C(=O)C(=O)OC(C)C)c2ccccc2)cc1	100087550	UWEKUCDZSKHIFZ-QGOAFFKASA-N	323.392	3.969	30	50	DHEA	
CCc1ncsc1/C(O)=N/C[C@H]1CCCc2sc(C)nc21	328622606	INOHIBPGOHUSFD-SNVBAGLBSA-N	321.471	3.895	30	50	DHEA	
N/C(=N\OC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1	4725375	LOTYWOCPKJMABS-UHFFFAOYSA-N	324.767	3.971	30	50	DHEA	
O=C1CC(c2ccccc2)CC(=O)C1=CNCc1ccc(F)cc1	100568765	JAERIFFVMLWMFV-UHFFFAOYSA-N	323.367	3.515	30	50	DHEA	
N#CCC(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl	187296803	DGYSPGQOVBJITF-INIZCTEOSA-N	320.726	3.737	30	50	DHEA	
CC(C)[C@@H](C)N(Cc1cc([N+](=O)[O-])c(C#N)cc1F)C1CC1	225637523	BXEGPZOOAZYOME-LLVKDONJSA-N	305.353	3.614	30	50	DHEA	
NN=C1[C@H]2CCC[C@H]1[C@@H](c1ccccc1)N[C@@H]2c1ccccc1	226920840	KUTYHXVWIWCHLG-INDMIFKZSA-N	305.425	3.803	30	50	DHEA	
Cc1nsc(N2CCc3cc4c(cc3C2)CCCC4)c1C#N	2325824045	NELJULOQBIULFT-UHFFFAOYSA-N	309.438	3.765	30	50	DHEA	
Cc1ccc(N2CCN(/N=C/C=C/c3ccccc3)CC2)cc1	1743551	LNDKKPIKNYVGHB-QRJSFIJRSA-N	305.425	3.816	30	50	DHEA	
N/C(Cc1cccc2ccccc12)=N\OC(=O)c1ccccc1F	4954702	KPEGGMIBHOAZDY-UHFFFAOYSA-N	322.339	3.651	30	50	DHEA	
Cc1ccc(N/C(S)=N\N=C\c2ccc([N+](=O)[O-])s2)cc1	8683529	VCWSBOYDLOTCCC-RIYZIHGNSA-N	320.399	3.697	30	50	DHEA	
Cc1ccccc1[C@H]1CCCN(Cc2cc(C#N)n(C)c2C)C1	72425467	CAKQKVVJTZPUDO-KRWDZBQOSA-N	307.441	3.893	30	50	DHEA	
O=C1N/C(=N/C2CCCC2)S/C1=C\c1ccnc2ccccc12	731835475	FPZIDVCSKKFURK-WJDWOHSUSA-N	323.421	3.737	30	50	DHEA	
COC(=O)c1scc(C)c1N/N=C(\C)c1ccc(F)cc1F	3909126	AQUBWTGZNVJTJU-GIJQJNRQSA-N	324.352	3.957	30	50	DHEA	
Cc1noc(C)c1C/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1	328609604	FDVKILPDOAUYCU-CRAIPNDOSA-N	314.385	3.568	30	50	DHEA	
CCC(=O)N(Cc1ccccc1)/C(C)=C1\C(=O)C[C@@H]2[C@@H]1C2(C)C	390787838	ZNIMXIUIJGKTQQ-ZDUQCPCISA-N	311.425	3.944	30	50	DHEA	
C[C@@H]1CC(B2OC(C)(C)C(C)(C)O2)=CCN1C(=O)OC(C)(C)C	606302431	MARFGAOIFGKRBE-GFCCVEGCSA-N	323.242	3.574	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2ccc(N3CCCC3)cc2)N=N1	952880631	HEPVGKFSRNESGW-UHFFFAOYSA-N	310.401	3.581	30	50	DHEA	
C=CCN(Cc1ccc(C)s1)Cc1[nH]cc(C)c(=O)c1C	1506412421	DHMBDSCIVGPQEW-UHFFFAOYSA-N	302.443	3.550	30	50	DHEA	
N#CCc1c[nH]c2cc(-c3ccc([C@H]4CCC(=O)N4)cc3)ccc12	2325869212	CHVDEGRNHCOJJW-GOSISDBHSA-N	315.376	3.852	30	50	DHEA	
COc1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F	3219058	XJCUOTCTXCXTNO-GIJQJNRQSA-N	322.267	3.955	30	50	DHEA	
C=C(C)CN(CC)Cc1cc(Br)cc(OC)c1O	23281667	PAIJODIZQFRXEE-UHFFFAOYSA-N	314.223	3.561	30	50	DHEA	
N#Cc1ccc(NC(=O)N2CCCC[C@H]2c2nccs2)cc1	176255705	VPVFHWMMUNKDRC-AWEZNQCLSA-N	312.398	3.774	30	50	DHEA	
O=C(C[n+]1ccc(-c2ccncc2)cc1)c1ccc(Cl)cc1	6276546	MYOQHYSGJOKJOX-UHFFFAOYSA-N	309.776	3.572	30	50	DHEA	
N#Cc1cnc(N2CCCCC[C@@H]2/C=C/c2ccccc2)cn1	129990112	CPYGWPYOZZNUEZ-DOJUMQAQSA-N	304.397	3.811	30	50	DHEA	
CCc1csc([C@H]2CCCN(c3snc(C)c3C#N)C2)n1	225818867	PUMWBDGEWXMOQB-NSHDSACASA-N	318.471	3.726	30	50	DHEA	
C#C[C@H](Cc1ccccc1)OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	230190486	AFGJEFIRQUVJEB-CEXWTWQISA-N	308.352	3.717	30	50	DHEA	
CC(C)CC[C@@](C)(O)C#CCN1CCCC[C@H]1c1cccnc1	248242673	FPZQVDCMRGOONA-PMACEKPBSA-N	314.473	3.799	30	50	DHEA	biogenic
N#CCC1(CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1	602918396	OSDZRNXPNUMGGF-CABCVRRESA-N	308.784	3.593	30	50	DHEA	
N#Cc1ccc(CN2CCC([C@@H](O)c3cccs3)CC2)cc1	1529173523	XVDZAAYKBQPDNU-GOSISDBHSA-N	312.438	3.565	30	50	DHEA	
CC(C)(C)OC(=O)NC1CC2(C1)C[C@@H]2B1OC(C)(C)C(C)(C)O1	1857779767	JDNGQJVTZAZLDV-JKGQDXBKSA-N	323.242	3.526	30	50	DHEA	
Clc1ccc(CO/N=C2\CCCc3nonc32)c(Cl)c1	141167	OGOZHRMMRWIEMP-LFIBNONCSA-N	312.156	3.634	30	50	DHEA	
Cc1ccc(C)n1-c1ccc(-c2ccnc3c(C#N)cnn23)cc1	1386313	LRNSLCNFXAGUDI-UHFFFAOYSA-N	313.364	3.676	30	50	DHEA	
COc1ccc(O)c(/C=N/Nc2ncc(Cl)cc2Cl)c1	4132082	PRDSISMZXWMULU-UBKPWBPPSA-N	312.156	3.549	30	50	DHEA	
C=CCC1(OC)CCN(Cc2nc(-c3ccco3)oc2C)CC1	67805756	XQSXNRWIIFZIMG-UHFFFAOYSA-N	316.401	3.800	30	50	DHEA	
C#CCCC1(CCC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)N=N1	952882811	XRQGVUCTKMQQCC-LSDHHAIUSA-N	313.401	3.935	30	50	DHEA	
C=CCNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1	1768762	CMRYQSCQZYDYTF-UHFFFAOYSA-N	309.409	3.694	30	50	DHEA	
COc1ccc(N/C=C\C(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1	13122506	IDJWXWFODOMSJC-KTKRTIGZSA-N	312.325	3.720	30	50	DHEA	
CCCCCCCN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O	59835343	RQWUJXIMIZPFKG-HNNXBMFYSA-N	322.836	3.532	30	50	DHEA	
N#C[C@H]1CCCN(C(=O)c2cccc(-c3cccc(F)c3)c2)C1	220461128	IKRNABHBIRLJLV-CQSZACIVSA-N	308.356	3.868	30	50	DHEA	
COc1cccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1O	288423	OZCDTLKWHDXQJX-LZYBPNLTSA-N	306.705	3.713	30	50	DHEA	
Cc1cccc(N/C(S)=N\N=C\c2cccc([N+](=O)[O-])c2)c1	8670198	MFQOVVAMFNFSGZ-MHWRWJLKSA-N	314.370	3.635	30	50	DHEA	
C#CCC1(C(=O)NCc2ccnc(C(F)(F)F)c2)CCCCC1	295914252	YVQBDFBERXJKEV-UHFFFAOYSA-N	324.346	3.690	30	50	DHEA	
CCCCCCCCNC(=O)C(=O)NCCCCCCCC	100697682	SIDCXXDUSLLCNK-UHFFFAOYSA-N	312.498	3.940	30	50	DHEA	
Cc1cc(N2CCC(c3ncccc3Cl)CC2)c(C#N)cn1	425260283	NUNZIEVATFKLMK-UHFFFAOYSA-N	312.804	3.694	30	50	DHEA	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/N	118917704	JMBJWQVSQZGGFA-CZRLHGTNSA-N	304.478	3.705	30	50	DHEA	
Cc1ccc(NC(=O)CCN[C@H]2CCC[C@H](C#N)C2)c(Cl)c1	225575971	XNSAPTBKDGFNKV-KBPBESRZSA-N	319.836	3.649	30	50	DHEA	
C=CCC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccco1	225633041	HFAWPFKHUHUHME-CABCVRRESA-N	320.433	3.886	30	50	DHEA	
CC(C)[C@H]1CN(Cc2ccccc2)/C(=N/Cc2ccccc2)N1	1775993746	JIUJLUWZKDDQPX-LJQANCHMSA-N	307.441	3.673	30	50	DHEA	
CC1(C)CC(=NN=C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1	44579	NTIVBEPWKFQQLC-UHFFFAOYSA-N	306.498	3.665	30	50	DHEA	
CCc1ccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)cc1	136663	LUZYWBAWIOROLW-LTGZKZEYSA-N	307.441	3.714	30	50	DHEA	
Cc1ccc(CN2CCN(/N=C/C=C/c3ccccc3)CC2)cc1	33383905	XXFYHFJWJOOBED-OWTPYQNBSA-N	319.452	3.812	30	50	DHEA	
CC(C)(C)OC(=O)Nc1cccc(C2(C#N)CCOCC2)c1	170626088	RICDGDBZIUWIDH-UHFFFAOYSA-N	302.374	3.605	30	50	DHEA	
Sc1nnc(-c2ccc(Cl)cc2)n1/N=C/c1cccs1	1302745	IQDPLGHSFABHKA-OVCLIPMQSA-N	320.830	3.831	30	50	DHEA	
COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(C)cc2)c1	5968171	SCJDKDMGBYGRTQ-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
C=C[C@@]1(C)CC(=O)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)C[C@@]2(C)O1	25723741	QSBSWAUSLLQUDV-FCZHJMSUSA-N	320.473	3.893	30	50	DHEA	
N#Cc1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)c(F)c1	127563910	BPRWDNYAMVQDRI-UHFFFAOYSA-N	313.372	3.862	30	50	DHEA	
COc1ccc(/C=C2/CCOc3ccccc3C2=O)cc1C#N	132651313	ZELSZMHNQJTHAN-UVTDQMKNSA-N	305.333	3.616	30	50	DHEA	
Cc1nscc1/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1	328610935	JRFVKEHJIIIVDQ-UKRRQHHQSA-N	302.399	3.534	30	50	DHEA	
Cc1ncc(N=C(O)CCc2nnc(C3CCCC3)o2)s1	328835690	SIXMNFBOQMVRMP-UHFFFAOYSA-N	306.391	3.713	30	50	DHEA	
N#Cc1nc(COc2ccccc2F)oc1N1CCCCCC1	108561	LFHFGDBWULBCLF-UHFFFAOYSA-N	315.348	3.645	30	50	DHEA	
C=CCc1cc(Cl)ccc1OCCOCCN[C@H](C)CC	2825117	NTMDDOAKWDGYIA-CQSZACIVSA-N	311.853	3.852	30	50	DHEA	
CCOc1ccc(C(=O)/C=C/c2ccc(OC)cc2OC)cc1	5073243	YRZQZRVKZQGVJJ-XYOKQWHBSA-N	312.365	3.999	30	50	DHEA	
C=CCOC(=O)CSc1nc2ccccc2n1-c1ccccc1	5314100	YDJSZWNQPWJMAB-UHFFFAOYSA-N	324.405	3.847	30	50	DHEA	
Cc1ccc(C(=O)C[n+]2ccc(-c3ccc(C)cc3)nc2)cc1	6277688	HCYXJLZSPCYITM-UHFFFAOYSA-N	303.385	3.536	30	50	DHEA	
N#C[C@@H](c1ccc(Br)cc1)c1ccc(Cl)nn1	15442829	WFTRIOMRNXGRIB-JTQLQIEISA-N	308.566	3.548	30	50	DHEA	
Cc1cccc(N/C=C(/C(=O)c2ccco2)C(=O)C(F)(F)F)c1	100862347	SBSJHCMPAICHRM-XFXZXTDPSA-N	323.270	3.898	30	50	DHEA	
N#CC1(CNC(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)CCC1	333509338	IUNUJJKQEYJJFP-KRWDZBQOSA-N	323.440	3.660	30	50	DHEA	
C#CCCC1(CCC(=O)NC2(c3ccccc3Cl)CC2)N=N1	952881522	PHHLUDOWYUMPCG-UHFFFAOYSA-N	315.804	3.801	30	50	DHEA	
N#Cc1nc([C@@H]2C[C@H]2c2ccc(F)cc2)oc1N1CCCCC1	1775976770	UOVHRRIBPQSLLI-LSDHHAIUSA-N	311.360	3.947	30	50	DHEA	
COc1cccc2cc(C(=O)Nc3ccc(CC#N)cc3)oc12	6747258	JEOBWGLPDNDLPL-UHFFFAOYSA-N	306.321	3.760	30	50	DHEA	
Cc1ccc(CN2CCN(/N=C/c3sccc3C)CC2)cc1	19879514	MEWBFNBMBUOVBX-CPNJWEJPSA-N	313.470	3.517	30	50	DHEA	
CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1CCCc2cccnc21	252498494	RDEPGSRIIYFYFI-OAHLLOKOSA-N	322.412	3.568	30	50	DHEA	
O=C(/C=C/c1ccc[nH]1)c1ccc(I)cc1	4950722	BXAULYSVVZVWQD-BQYQJAHWSA-N	323.133	3.515	30	50	DHEA	
C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@H](C)O[C@H](C)C2)c1	12570145	ZBTQNFDZBZMMIU-GASCZTMLSA-N	316.445	3.774	30	50	DHEA	
CCOC(=O)/C(=C/c1ccc(Oc2ccccc2)o1)C(C)=O	2546553	NDYPRYSTUZXYQN-RVDMUPIBSA-N	300.310	3.607	30	50	DHEA	
N/C(Cc1cccc2ccccc12)=N\OC(=O)c1cccs1	4191621	HUYVLVWVLPXXIS-UHFFFAOYSA-N	310.378	3.573	30	50	DHEA	aggregator
OC(=Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CN2CCC1CC2	328586998	JRTVHYXUQQIBFU-SNVBAGLBSA-N	315.200	3.629	30	50	DHEA	
C=CCOc1cccc(NC(=O)c2c(OC)cccc2OC)c1	4838070	SSXPVRRKAOIJEG-UHFFFAOYSA-N	313.353	3.521	30	50	DHEA	
CCN(/C=N/C1=NN(c2cccc(C(F)(F)F)c2)CC1)CC	18024092	QKCONXZIFOPPRF-YBFXNURJSA-N	312.339	3.599	30	50	DHEA	
COc1ccccc1N1CCN(/N=C\C=C\c2ccccc2)CC1	13371177	HTDQYPHLMUYLDA-VIBAAIGISA-N	321.424	3.516	30	50	DHEA	
C=CCN(Cc1ccc(C)s1)C(=O)c1c(CC)noc1C	55074204	MOQVBWVLABUBAX-UHFFFAOYSA-N	304.415	3.744	30	50	DHEA	
N#CC1(NC(=O)c2cc(Cl)ccc2Cl)CCSCC1	162221499	BIQZYNKBBYQXLS-UHFFFAOYSA-N	315.225	3.513	30	50	DHEA	
N/C(S)=N\N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	8579928	ADXFRNKHMYIVPJ-OMCISZLKSA-N	314.197	3.832	30	50	DHEA	aggregator
C=CCCC[C@@H]1C[C@@H]1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	43761579	LVHNROBLVJHWKA-DYBVGFEPSA-N	318.333	3.893	30	50	DHEA	
CCCOc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl	169936328	ATFCCDUHYXYSHT-UHFFFAOYSA-N	314.593	3.567	30	50	DHEA	in-vitro
Cc1cc(CSc2n[nH]c(-c3ccccc3O)n2)ccc1C#N	408514809	MDLXVUFXPXHEBD-UHFFFAOYSA-N	322.393	3.650	30	50	DHEA	
C[C@H](Nc1ncc(C#N)cc1F)c1ccc(NC(=O)C2CC2)cc1	413050231	VMMXNMGKTNREBU-NSHDSACASA-N	324.359	3.614	30	50	DHEA	
N#CC1CCC(N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1	1857530083	SFDZYCGHWZGGMV-NDSXSNPYSA-N	322.811	3.981	30	50	DHEA	
C=CC[C@H]1N(Cc2nnc3n2CCCCC3)CCCC1(C)C	252485764	HDGWWWZICUVYSO-OAHLLOKOSA-N	302.466	3.571	30	50	DHEA	
C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@H]3C	3812889	WZDGZWOAQTVYBX-XOINTXKNSA-N	312.453	3.883	30	50	DHEA	world
COc1cc(Cl)cc(C=C2C(=O)c3ccccc3C2=O)c1O	4655919	VNUCUBONVUQNOK-UHFFFAOYSA-N	314.724	3.517	30	50	DHEA	
C/C(=N/OC(=O)[C@@H]1CC12CCC2)c1ccc(Br)cc1	4756119	XFDRXGVMZOCPRW-NWRYFCBHSA-N	322.202	3.907	30	50	DHEA	
CC(C)c1ccc(-c2nc(N3CCCCC3)nc(O)c2C#N)cc1	8762822	RPEQRRUOKCBHNN-UHFFFAOYSA-N	322.412	3.835	30	50	DHEA	aggregator
O=[N+]([O-])c1ccc(N/N=C2/CCC=CCCC2)c([N+](=O)[O-])c1	43761618	MJIIBZBZPJHEDV-SKWWMFPKSA-N	304.306	3.791	30	50	DHEA	
Cc1ccc(N[C@H]2CCCN(c3ccc(C#N)cn3)C2)cc1C	72165542	BROIMVGAFPIWAG-SFHVURJKSA-N	306.413	3.651	30	50	DHEA	
N#CCC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F	187059866	DJDQNUOAXVPFJZ-UHFFFAOYSA-N	324.274	3.915	30	50	DHEA	
COc1ccc2c(c1)CC/C(=C/Nc1ccc3c(c1)OCO3)C2=O	240738	WZOZHZHKQDLOSL-RAXLEYEMSA-N	323.348	3.549	30	50	DHEA	
C=CCOc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1	5052689	BKEWEIATRJPKIH-AQTBWJFISA-N	319.360	3.904	30	50	DHEA	
O=C1CCCC(O)=C1[C@H]1C2=C(CCCC2=O)Oc2ccccc21	96523223	IEJXFBPSOACJDV-KRWDZBQOSA-N	310.349	3.735	30	50	DHEA	
COCCOc1ccc(/C=C2/CCOc3ccccc3C2=O)cc1	171686794	NXSXPDGXKRFMSX-PEZBUJJGSA-N	324.376	3.761	30	50	DHEA	
Fc1cccc(Cl)c1/C=N/n1c(-c2ccco2)n[nH]c1=S	5995933	AASCKQGMFYDJNF-FRKPEAEDSA-N	322.752	3.875	30	50	DHEA	
N#Cc1ccc(-c2ccc(O)c(I)c2)cc1	12650830	GGJLASJZXUIMAG-UHFFFAOYSA-N	321.117	3.535	30	50	DHEA	in-vitro
C=CCN(Cc1ccc(F)cc1)Cc1cccc(OC)c1O	55393282	NVIYTWUSCHNVKK-UHFFFAOYSA-N	301.361	3.728	30	50	DHEA	
Cc1ccc(-c2cc(C(=O)N(C3CC3)C3(C#N)CCC3)on2)cc1	330084158	KYLHOYGALBNPNX-UHFFFAOYSA-N	321.380	3.701	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2sc(CCC)nc2C)N=N1	2325892388	LLZPQTBMMSCODZ-UHFFFAOYSA-N	304.419	3.698	30	50	DHEA	
C=CCc1cccc2cc(C(=O)Nc3cccc(F)c3)c(=O)oc12	310474	PSQHHZXEJIBHPA-UHFFFAOYSA-N	323.323	3.913	30	50	DHEA	
COc1ccc(CC/N=C\c2cc(Cl)ccc2O)cc1OC	17782312	SUVDNBZBYTUDOW-ODLFYWEKSA-N	319.788	3.724	30	50	DHEA	
CC(C)(C#N)c1ccc(-c2ccc(C(C)(C)C(N)=O)cc2)cc1	426361199	HRHZKZJXZXHRAM-UHFFFAOYSA-N	306.409	3.918	30	50	DHEA	
N#Cc1c(NCc2ccco2)nc2c(c1C#N)CCCCCC2	619473267	WIWHNARQPVEHIR-UHFFFAOYSA-N	306.369	3.689	30	50	DHEA	
C#CCCC1(CCC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)N=N1	952882810	XRQGVUCTKMQQCC-HUUCEWRRSA-N	313.401	3.935	30	50	DHEA	
N#Cc1c(C(=O)N2CC=C(c3ccccc3)C2)[nH]c2ccccc12	1446761516	IJRATPZVHDLPTA-UHFFFAOYSA-N	313.360	3.579	30	50	DHEA	
CC1(C)OB(c2cccc(COc3ccccc3)c2)OC1(C)C	169743729	AFDZGEOQKHIWKF-UHFFFAOYSA-N	310.202	3.565	30	50	DHEA	
Cc1cnc([C@H](C)/N=C(/O)[C@@H]2CCN(C3CCCCC3)C2)o1	329315970	BDQWREMSVFGNSH-UONOGXRCSA-N	305.422	3.655	30	50	DHEA	
CCN(CC)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1	3415896	DVLZRSZTAGSLNT-UHFFFAOYSA-N	324.428	3.563	30	50	DHEA	
Cc1cc(C)c(NC(=O)/C(O)=C/C(=O)c2ccccc2)c(C)c1	100784131	COXKMGWNHBQVGJ-BOPFTXTBSA-N	309.365	3.875	30	50	DHEA	
N#Cc1c(Cl)nsc1NC[C@@H]1CCOc2ccccc21	264540617	HPVJCOAUTUVAFL-VIFPVBQESA-N	305.790	3.646	30	50	DHEA	
C/C(=C\c1cccc(Cl)c1)C(=O)c1c(C)cc(C)[nH]c1=O	5033459	BOGUWQXDWBBZGJ-DHZHZOJOSA-N	301.773	3.931	30	50	DHEA	
C[C@@H](N/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1)c1ccco1	328629195	OPJXCCZXVMSLGE-FRFSOERESA-N	314.385	3.622	30	50	DHEA	
C[C@H](/N=C(/O)[C@H]1CCCc2nn(C)cc21)c1ccc(Cl)cn1	328782229	VCLYJPZPKDATNR-JQWIXIFHSA-N	318.808	3.606	30	50	DHEA	
COc1cccc2c(NC(=O)c3cc(C#N)cs3)c(C)cnc12	341590288	VLDLUBKTFRXHLZ-UHFFFAOYSA-N	323.377	3.737	30	50	DHEA	
C=CCn1c(S)nnc1[C@@H](C)Oc1cc(C)ccc1Cl	17032063	HTTBKLCJHKKEFW-SNVBAGLBSA-N	309.822	3.855	30	50	DHEA	
O=C1CCCC2=C1[C@@H](c1ccco1)C1=C(N2)c2ccccc2C1=O	18279050	MSYGTPPRUXLLFU-QGZVFWFLSA-N	317.344	3.581	30	50	DHEA	
CCn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/CCC1=CCCCC1	328616861	CEIQVQBNMKERTA-NVXWUHKLSA-N	317.433	3.828	30	50	DHEA	
CC(C)CC(=O)Nc1cccc(CNc2ccc(C#N)nc2)c1	267446658	ZVDXFYFOYADMBH-UHFFFAOYSA-N	308.385	3.550	30	50	DHEA	
C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@]1(C#N)CC12CCCC2	333675803	DKFRAWJGCWUISP-KUHUBIRLSA-N	307.397	3.552	30	50	DHEA	
Cc1cccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)c1C	143622	RELMWIXKHPNVEY-UHFFFAOYSA-N	313.364	3.644	30	50	DHEA	
COc1ccc(OC)c2c1[C@H]1c3ccccc3[C@H]2C12OC2(C)C	101049796	AKDDWXXPOWIFBN-QZTJIDSGSA-N	308.377	3.842	30	50	DHEA	
Cc1nc2c(C(O)=Nc3cccc4c3OCC[C@H]4O)cccc2o1	328588899	SAIQYTAJXSWLPS-CQSZACIVSA-N	324.336	3.588	30	50	DHEA	
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC(C)(C)c1cccc(C)c1	334089721	ZDKXAYRLPLHYEH-DOTOQJQBSA-N	316.445	3.511	30	50	DHEA	
Oc1ccccc1/C=N/c1ccccc1I	2170778	WSJDEXMBMDWHMR-OQLLNIDSSA-N	323.133	3.747	30	50	DHEA	
C=C[C@]1(C)C[C@@H](O)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@@H](C)C1=O	71786922	YHTMMGCWQFVLTN-YXYMMTCNSA-N	318.457	3.550	30	50	DHEA	
O=C1/C(=C/Nc2cc([N+](=O)[O-])ccc2O)Sc2ccccc21	100470952	HTGSGEVPXSZBPP-ZSOIEALJSA-N	314.322	3.542	30	50	DHEA	
CCO[C@H](C)c1ccc(-c2nc(C)c(C(=O)O)cc2C#N)cc1	216051499	KZRPZGZXYBIZCQ-GFCCVEGCSA-N	310.353	3.724	30	50	DHEA	
CC1=CC2(CCN(c3nc4c(cc3C#N)CCCC4)CC2)OCC1	2356158354	YQNYEFZLURVKQG-UHFFFAOYSA-N	323.440	3.538	30	50	DHEA	
Oc1ccc(Br)cc1/C=N/c1ccc(Cl)cn1	100784	DTSDQPYTRAWJRU-GIDUJCDVSA-N	311.566	3.954	30	50	DHEA	
C=CCN1C(=O)/C(=C/C=C/c2ccc(OC)cc2)SC1=S	1122451	AGEWHSPJJZFUFU-VJDVQFHISA-N	317.435	3.639	30	50	DHEA	
CCn1ncc(/C=C/C(=O)c2ccc(OC(F)F)cc2)c1C	6490025	BRIWMTATNGPOKF-RMKNXTFCSA-N	306.312	3.709	30	50	DHEA	
C=C(C)COc1ccccc1CNCc1snnc1C(C)C	55227695	IRRTZRUHWDBGMB-UHFFFAOYSA-N	317.458	3.906	30	50	DHEA	
CCOc1ccc(/C=C/C(=O)c2cnnn2-c2ccccc2)cc1	253425897	WLCPTLMNJWZJEF-JLHYYAGUSA-N	319.364	3.562	30	50	DHEA	
N#Cc1cc(-c2nccn2-c2ccc3c(c2)COC3)ccc1F	1772806414	FDUJJSBNYJPFIA-UHFFFAOYSA-N	305.312	3.580	30	50	DHEA	
C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)C1	356470	STWVLHHEKSOYEN-CYBMUJFWSA-N	313.357	3.613	30	50	DHEA	
CSc1ccc(NC(=O)c2ccc(Cl)nc2)cc1C#N	3104723	QNUXTDSCCBHVPP-UHFFFAOYSA-N	303.774	3.581	30	50	DHEA	
COc1cc(/C=N\Nc2cc(C)c3ccccc3n2)ccc1O	32593039	HHINBHCSGATTTH-ODLFYWEKSA-N	307.353	3.703	30	50	DHEA	
CCCN(CC#Cc1ccccc1)C(=O)c1cc(C(C)C)no1	55308469	YTIGLFMRYSSLEA-UHFFFAOYSA-N	310.397	3.702	30	50	DHEA	
CN1C(=O)c2ccccc2[C@H]1[C@@H]1CCCc2ccccc2/C1=N/O	102314329	YCMCSQQNSJVIAA-WKYMMTPCSA-N	320.392	3.644	30	50	DHEA	
Cc1noc(C)c1N=C(O)c1cnc2onc(C(C)C)c2c1	328885849	NPYFCCPCZBWLMP-UHFFFAOYSA-N	300.318	3.587	30	50	DHEA	
N#Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1	3907641	KFKKRCFSVLAKNW-UHFFFAOYSA-N	307.284	3.605	30	50	DHEA	
COc1ccc(N/C=C\C(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1	4905319	HIJFMMJZGKKUDQ-HJWRWDBZSA-N	316.288	3.551	30	50	DHEA	
C=CCc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12	281324	GCEFGGRXZIPPGA-UHFFFAOYSA-N	311.381	3.584	30	50	DHEA	
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1	3048223	LOJNSIWMFVFYIQ-UHFFFAOYSA-N	307.802	3.721	30	50	DHEA	
O=C1N/C(=N\c2ccccc2Cl)S[C@@H]1Cc1ccccc1	5650013	INUNSZMUASZIFL-CQSZACIVSA-N	316.813	3.802	30	50	DHEA	
C=C/C(O)=N/C[C@@H](C(=O)OCc1ccccc1)c1ccccc1	328600191	WMZQCJMTHUQGSW-QGZVFWFLSA-N	309.365	3.656	30	50	DHEA	
COc1ncc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1C#N	1626397091	UJLMHRMTSUZKER-UHFFFAOYSA-N	322.151	3.521	30	50	DHEA	
Cc1ccc(S(=O)(=O)/N=C(\O)c2ccccc2)cc1C(C)C	242295	UUIPEQQKEJNSBF-UHFFFAOYSA-N	317.410	3.812	30	50	DHEA	
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(C)cc2)c1OC	3051884	VYTGYNGHTVLKSH-LICLKQGHSA-N	300.314	3.671	30	50	DHEA	
FC(F)(F)c1cnc(N/N=C/c2cccnc2)c(Cl)c1	7158294	HKPZQWVTGKQPDJ-KPSZGOFPSA-N	300.671	3.595	30	50	DHEA	
C=CCN(Cc1ccco1)C(=O)c1sc(C(C)C)nc1C	55109089	BSIPTXZFMNAWHU-UHFFFAOYSA-N	304.415	3.996	30	50	DHEA	
CC(C)(C)c1cnc(N2CCC[C@H]2[C@@H]2CCCOC2)c(C#N)c1	1875287154	WRJJUEUXSXGTJR-PBHICJAKSA-N	313.445	3.646	30	50	DHEA	
C#Cc1ccc([C@@H]2CCCN2C(=O)c2ncccc2Cl)cc1	1875329037	APDDGCIQYVEFJW-INIZCTEOSA-N	310.784	3.694	30	50	DHEA	
CC(/C=C/c1ccco1)=N\Nc1nnc2c(n1)[nH]c1ccccc12	4610362	OHMABCXFHTXGQT-XCUBKUTJSA-N	318.340	3.600	30	50	DHEA	
Cc1ccnc(N/C=C/C(=O)c2ccc(Br)cc2)c1	6199184	JJVCKTCBJXKSEJ-VQHVLOKHSA-N	317.186	3.961	30	50	DHEA	
COc1cccc([C@H]2CCCCN2Cc2cc(C#N)n(C)c2C)c1	72447843	SDTDINVBOXERLN-HXUWFJFHSA-N	323.440	3.941	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)C3=CC[C@@]21C	257356964	LHPNCVDPCZKRBF-JFHUYLGKSA-N	310.437	3.803	30	50	DHEA	
C=CCc1cc(CN(C)CC2(C)COC2)ccc1OC(C)C	820505608	GQGWTWRHWNJYQQ-UHFFFAOYSA-N	303.446	3.671	30	50	DHEA	
C[Si](C)(C)C#Cc1cc(C2(C(F)(F)F)N=N2)ccc1CO	1501018281	XXZCMZFIBIYADN-UHFFFAOYSA-N	312.367	3.589	30	50	DHEA	
C=CCN1C(=O)S/C(=C\C=C\c2ccc(N(C)C)cc2)C1=O	1015308	UXINTBOOWABSFI-QWZNWYIFSA-N	314.410	3.531	30	50	DHEA	
COc1ccccc1N1CCN(/N=C/C=C/c2ccccc2)CC1	2702930	HTDQYPHLMUYLDA-FPQBULDBSA-N	321.424	3.516	30	50	DHEA	
COc1cccc2c1CCCCN2C(=O)c1cc(C#N)cs1	178889843	USBCSAGTUMATFJ-UHFFFAOYSA-N	312.394	3.611	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]21C	257355926	DPFJWSXDCNAYDI-WMDQAZIPSA-N	310.437	3.659	30	50	DHEA	
Cc1csc(C2(/N=C(/O)[C@H](C)n3nc(C)cc3C)CCC2)n1	329272196	ACHYRCVSUSJSLL-ZDUSSCGKSA-N	318.446	3.862	30	50	DHEA	
CC(C)(C)CC(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)CC1	1875368708	LTMFAFZCPPFUSK-CQSZACIVSA-N	323.286	3.898	30	50	DHEA	
Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(O)c2)cc1	5968891	WAJMCSPJAZBCOK-LICLKQGHSA-N	310.382	3.504	30	50	DHEA	
C=CCN(CC=C)c1ncnc2ccc(Br)cc12	99143	AUJJIVKWYWSNMS-UHFFFAOYSA-N	304.191	3.571	30	50	DHEA	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](F)C[C@@]43C)[C@H]1CC[C@H]2O	90647881	QRNFMYYNRYGOQD-BHQABVRBSA-N	306.421	3.827	30	50	DHEA	
C[C@H]1CC(C)(C)N(C(=O)c2ccnc(C#N)c2)c2ccccc21	193739610	KDGOGLNTLBXJQA-ZDUSSCGKSA-N	305.381	3.886	30	50	DHEA	
C#CCCC1(CCC(=O)N2CCC[C@H](c3ccccc3)C2)N=N1	952881602	OQYSBYALECIYRD-KRWDZBQOSA-N	309.413	3.748	30	50	DHEA	
COc1ccc(/N=N/C(C#N)=NNc2ccc(OC)cc2)cc1	954190427	GPBUBTBGZLSJTJ-NXSQIEGHSA-N	309.329	3.737	30	50	DHEA	
Cc1ccc(S(=O)(=O)N/N=C2\C[C@@H]3CCCCCC[C@H]23)cc1	16952681	FXSKXZLNBDGDHD-IQBIWGFDSA-N	320.458	3.620	30	50	DHEA	
N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1	177834692	YZJPCJBLHMEXBV-SFHVURJKSA-N	318.380	3.735	30	50	DHEA	
CC(C)=C1Oc2c(ccc3c2[C@H](c2ccco2)CC(=O)O3)C1=O	217820406	MOVPMHFUOLOLFJ-NSHDSACASA-N	310.305	3.590	30	50	DHEA	biogenic
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C	257356965	LHPNCVDPCZKRBF-TZMRYXNNSA-N	310.437	3.803	30	50	DHEA	
N#CCC1(Cn2ccc3cc(C(F)(F)F)ccc3c2=O)CC1	596293922	DLTLVHZJBOVXGA-UHFFFAOYSA-N	306.287	3.714	30	50	DHEA	
CCOC(=O)c1c(NC2=CC(=O)CCC2)sc2c1CCCC2	1446013	LQEZRRIGDKAREV-UHFFFAOYSA-N	319.426	3.852	30	50	DHEA	
COc1ccc([C@@H](C)/N=C(/S)NCc2ccc(F)cc2)cc1	13932740	DTTLWOVQNSOJRL-GFCCVEGCSA-N	318.417	3.971	30	50	DHEA	
CCCCCCCCCCCCOCCOCCOCCO	59441819	FKMHSNTVILORFA-UHFFFAOYSA-N	318.498	3.949	30	50	DHEA	
C[C@H](CC#N)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	159708983	OXWBYHADEJHLDN-CYBMUJFWSA-N	320.352	3.774	30	50	DHEA	
COC(=O)C[C@H](C)c1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1	239782388	COBZNLQEEPPFOA-VBQJREDUSA-N	300.402	3.847	30	50	DHEA	
CCc1noc(C)c1-c1noc(/C=C/c2ccccc2C#N)n1	618438884	AAZOMKRIHIXNBM-CMDGGOBGSA-N	306.325	3.638	30	50	DHEA	
Cc1nc(C#N)ccc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1	1875369082	QCGSOHJIZRWAGQ-KBXCAEBGSA-N	319.408	3.528	30	50	DHEA	
O=C1C(=Cc2ccc(Br)cc2)C(=O)c2ccccc21	280930	WFYCOCQPQPAJOA-UHFFFAOYSA-N	313.150	3.912	30	50	DHEA	biogenic
CCOC(=O)c1ccc(N/C=C/C(=O)c2ccc(C)cc2)cc1	4812399	AUYCTFRGJZEOQM-OUKQBFOZSA-N	309.365	3.980	30	50	DHEA	
CCOc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1	6499588	URVRQYARIFTBFL-LDADJPATSA-N	324.409	3.889	30	50	DHEA	
O=C(O)/C(=C/C(=O)c1ccccc1)Nc1ccc(Cl)cc1	20166027	UWDAMAVHCIXWLQ-UVTDQMKNSA-N	301.729	3.603	30	50	DHEA	
COc1ccccc1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1	169987594	UMZWOISFJWYEGW-UHFFFAOYSA-N	310.202	3.661	30	50	DHEA	in-vitro
N#CC1CCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1	331367332	DQSBILLFSWOLKH-ZWKOTPCHSA-N	311.429	3.658	30	50	DHEA	
C=C(C)[C@@H]1CCC(C)=C1COC[C@H](O)COc1ccccc1	22228931	MFDUHKNJKVNWPB-WMZOPIPTSA-N	302.414	3.746	30	50	DHEA	
CC1(C)OB(c2ccc(/C=N/c3ccccc3)s2)OC1(C)C	169745801	BYXNQKHPQNAKEZ-XDHOZWIPSA-N	313.231	3.798	30	50	DHEA	in-vitro
CC(=O)c1ccc(Oc2ccc(C#N)cc2F)c([N+](=O)[O-])c1	170672925	UOEXEBNCISZFFV-UHFFFAOYSA-N	300.245	3.600	30	50	DHEA	
N#Cc1c(F)cccc1N1CCC[C@@H]1c1nc2c([nH]1)CCCC2	275769266	XMOHSEFASTVQFZ-QGZVFWFLSA-N	310.376	3.641	30	50	DHEA	
N#CCCN(Cc1cccnc1)C(=O)c1cccc2ccsc12	362232120	ZLEYFBQELURGOZ-UHFFFAOYSA-N	321.405	3.852	30	50	DHEA	
C[C@H]1c2ccccc2C[C@H]1NC(=O)N[C@H](C)c1cccc(C#N)c1	595538763	KGSGWAOHFYNNNH-IQUTYRLHSA-N	319.408	3.647	30	50	DHEA	
N/C(=N\OC(=O)c1ccc2ccccc2c1)c1ccccc1Cl	4598989	WYPIGCPSGYILPR-UHFFFAOYSA-N	324.767	3.971	30	50	DHEA	
Cn1/c(=N/N=C\c2c[nH]c3ccccc23)sc2ccccc21	4819111	VHAINAIUXAZXJM-HMXFOJJMSA-N	306.394	3.656	30	50	DHEA	
C/C(=N/N1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1	4873361	YNLRVQKBJARIBM-HKWRFOASSA-N	313.832	3.886	30	50	DHEA	
N#Cc1cc(CN(Cc2cccnc2)Cc2ccco2)ccc1F	182062846	AARWVTMPBDVBNH-UHFFFAOYSA-N	321.355	3.888	30	50	DHEA	
N#Cc1cccnc1Oc1ccccc1NCC[C@@H]1CCCO1	225533859	QCLAFCOMQQYGNF-HNNXBMFYSA-N	309.369	3.727	30	50	DHEA	
O=C(/C=C\Nc1cc(Cl)ccc1O)c1ccc2c(c1)OCO2	4905352	PJUXGJHAYGLPJF-WAYWQWQTSA-N	317.728	3.583	30	50	DHEA	
C=CCn1cc(CN2CCC[C@@H]2c2cc(C(C)C)on2)c(C)n1	55087991	JCAVQPQEXYNUQR-QGZVFWFLSA-N	314.433	3.826	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2ccc3nc(C4CC4)oc3c2)N=N1	952880239	DPKQGWBIBGRXAU-UHFFFAOYSA-N	322.368	3.999	30	50	DHEA	
CC(C)(C)OC(=O)N1CCC[C@@H](C/N=C/c2ccccc2)C1	98213389	GKEFLGAWUZYHKZ-QUYZQLMHSA-N	302.418	3.753	30	50	DHEA	
N#Cc1ncccc1N1CCC(c2noc3cc(F)ccc23)CC1	291122724	MICTXFHKXPIGOW-UHFFFAOYSA-N	322.343	3.618	30	50	DHEA	
C=C(C)COc1cccc(CNCc2cncn2CC(C)C)c1	55244610	RIUJVDPUUIZPKL-UHFFFAOYSA-N	313.445	3.784	30	50	DHEA	
CCCCCCCCCCCCNC[C@@H](O)C[N+](C)(C)C	100936539	XOQMJLNNORLOFH-GOSISDBHSA-N	301.539	3.564	30	50	DHEA	
COc1cccc(C(=O)/C=C/Nc2ccc(OC)cc2OC)c1	1776110948	KMRMPGLJMOMOSV-MDZDMXLPSA-N	313.353	3.521	30	50	DHEA	
N#Cc1c(N)[nH]c2cc(-c3cccc(Cn4ccnc4)c3)ccc12	1875355660	CZYNXBQQPJAZBM-UHFFFAOYSA-N	313.364	3.534	30	50	DHEA	
N#Cc1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12	78327	XYTZWAUBYGARCV-UHFFFAOYSA-N	319.755	3.681	30	50	DHEA	
CN(C)c1ccc(/C=N/Nc2ncc(Cl)cc2Cl)cc1	4062521	ZOZHRQACKWQYOW-QGMBQPNBSA-N	309.200	3.900	30	50	DHEA	
C=C(C)COc1cccc(C(=O)N(C)CCC[C@@H]2CCCO2)c1	55052659	URAVQOBZXPCGBY-QGZVFWFLSA-N	317.429	3.673	30	50	DHEA	
CCCC(=O)C1=C(NCCc2ccccc2)CC(C)(C)CC1=O	100660213	CPSGUTLQJAUXTB-UHFFFAOYSA-N	313.441	3.831	30	50	DHEA	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CCC(=O)O2	105009336	CNIXJDVUMXTEKX-CFRSGVNKSA-N	302.414	3.814	30	50	DHEA	
C=CC[C@H]1C=CC[C@H](CC=C)N1C(=O)c1ccc2nc[nH]c2c1	213155152	JYJUGPBKXZOMHT-HOTGVXAUSA-N	307.397	3.854	30	50	DHEA	
C=CCCC(=O)N1CCC[C@H](CCc2ccc(OC)cc2)C1	65493303	STOJVBGZIXGDTE-QGZVFWFLSA-N	301.430	3.833	30	50	DHEA	
COc1cccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1	585139565	QRLUQLVTOZYCSA-UHFFFAOYSA-N	310.202	3.661	30	50	DHEA	in-vitro
CC(C)[C@@H]1C=CCN1C(=O)CC1=C(c2ccccc2)CCC1=O	1506417710	BHQQYTOZPVYNNH-SFHVURJKSA-N	309.409	3.616	30	50	DHEA	
COc1ccc(Oc2nnc(-c3ccccc3)cc2C#N)cc1	1390966	GSTMKQUKSPNAOA-UHFFFAOYSA-N	303.321	3.816	30	50	DHEA	
Cc1cc(N/C=C/C(=O)c2ccc(Br)cc2)no1	4832622	AMLKVXPTAPYDSE-VOTSOKGWSA-N	307.147	3.554	30	50	DHEA	aggregator
O=C1N/C(=N\c2ccccc2)S[C@@H]1Cc1ccccc1Cl	5593934	RSAJGEYVHZOYDY-CQSZACIVSA-N	316.813	3.802	30	50	DHEA	
C=CCOc1ccc(CNCc2ccc(F)cc2)cc1OC	6702454	HVFIMCCGZMOGNC-UHFFFAOYSA-N	301.361	3.689	30	50	DHEA	
C=CCC[C@H](NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccco1	170615976	WWYMIFUJPNLSQH-KBPBESRZSA-N	316.367	3.761	30	50	DHEA	
Cc1cc(C)c2cc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)[nH]c2c1	170629583	GQKBMXOQOGBCSI-BLVKFPJESA-N	309.413	3.987	30	50	DHEA	
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/N	253499559	JMBJWQVSQZGGFA-IKHTUODDSA-N	304.478	3.705	30	50	DHEA	biogenic
Cc1nc2c(s1)CCC[C@H]2C/N=C(/O)c1sc(C)nc1C	328629573	OZSRXLVOLWDRRA-NSHDSACASA-N	321.471	3.950	30	50	DHEA	
N#Cc1c(-c2ccccc2)nc(=S)n(-c2ccccc2)c1N	2241354	SNLRXCCQDSEGJA-UHFFFAOYSA-N	304.378	3.723	30	50	DHEA	
CC[C@H](C)[C@H]1CCCC/C1=N\NS(=O)(=O)c1ccc(C)cc1	4800698	FEEALDLWCLMVCP-PWBREFGWSA-N	322.474	3.866	30	50	DHEA	
C[N+](C)(C)c1ccc(/C=N/N=C(\S)Nc2ccccc2)cc1	5570449	XGKYJWDKUIHFPY-QGOAFFKASA-O	313.450	3.615	30	50	DHEA	
C[C@@H]1COC[C@@H]1NCCC(C#N)(c1ccccc1)c1ccccc1	932491942	NSRSXNSCCDYYIG-XLIONFOSSA-N	320.436	3.511	30	50	DHEA	
C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NCc1cc(C3CC3)on1)C2	1565528751	GOLLEKKGBFJQPO-FZKQIMNGSA-N	300.402	3.551	30	50	DHEA	
Sc1nnc(-c2ccccc2Cl)n1/N=C/c1cccs1	5998636	YJWRZMNZTBEHMF-OVCLIPMQSA-N	320.830	3.831	30	50	DHEA	
O=[N+]([O-])c1ccc(/N=C/c2cc(Br)ccc2O)cc1	100034330	CHHQENWZUZWNIZ-OVCLIPMQSA-N	321.130	3.814	30	50	DHEA	
CC(C)c1nnc(C/N=C(/O)c2scnc2C(C)C)s1	331327101	PEFQRLZPQDKOMN-UHFFFAOYSA-N	310.448	3.746	30	50	DHEA	
COc1ccc(-c2c(C#N)c(N)c(C#N)c3c2CCCC3)cc1	278528	AZWLMGINFLARSO-UHFFFAOYSA-N	303.365	3.567	30	50	DHEA	
COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-]	5072984	TUZZGEZAKLWPGI-KRXBUXKQSA-N	301.273	3.639	30	50	DHEA	
C=C(C)COc1c(CN(C)[C@H](C)c2ccon2)cccc1OC	55284896	QMPZSULUEQQTGC-CQSZACIVSA-N	316.401	3.831	30	50	DHEA	
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(F)c(C#N)c2)s1	278917610	RMQYSKWLTXHNHG-SNVBAGLBSA-N	317.389	3.604	30	50	DHEA	
C/C(=N/N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1	136587	WBNLRRKUTIINTB-HKWRFOASSA-N	313.832	3.886	30	50	DHEA	
O=C(NCc1ccco1)c1ccc(C#Cc2ccccc2)cc1	177119	SIZQZGWOOSTLCH-UHFFFAOYSA-N	301.345	3.609	30	50	DHEA	
N#Cc1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1N	2869351	XTONNLKORBIHPB-UHFFFAOYSA-N	311.348	3.517	30	50	DHEA	
CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccccc2)CC(=O)O3)C1=O	217783820	FNFQGZZYHKMDSZ-CQSZACIVSA-N	320.344	3.997	30	50	DHEA	biogenic
C[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccc2c(c1)OCCO2	267257247	VVMSKQKKAUDPTD-JTQLQIEISA-N	315.760	3.551	30	50	DHEA	
CC(C)(C)OC(=O)C1CC2(C1)C[C@@H]2B1OC(C)(C)C(C)(C)O1	1775955048	MLBQXPGCPOVRHJ-JKGQDXBKSA-N	308.227	3.591	30	50	DHEA	
Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)ccc1Cl	455319	MTTGKYJOMOQCKP-UHFFFAOYSA-N	300.745	3.538	30	50	DHEA	
COC(=O)C1=CC(=O)CC[C@@H]1C1c2ccccc2-c2ccccc21	3080866	VMBGGUCXWRVEPT-SFHVURJKSA-N	318.372	3.877	30	50	DHEA	
CCOc1ccccc1/C=N/NC(=S)Nc1cccc(C)c1	4231439	SRDVJBAJXJVYSS-LDADJPATSA-N	313.426	3.714	30	50	DHEA	
O=C(NC1CCCCC1)O/N=C(\c1ccccc1)c1ccccn1	4714209	CQYIYCWXGLMKBR-RELWKKBWSA-N	323.396	3.893	30	50	DHEA	
Brc1ccc(N/N=C/c2ccc3c(c2)OCO3)cc1	4955398	KRQNYUIAAJLRIN-LZYBPNLTSA-N	319.158	3.624	30	50	DHEA	
C=CCN(Cc1ccc(-c2nc(C)cc(=O)[nH]2)cc1)C1CCCC1	23429211	UYDYDOFGCAFJOI-UHFFFAOYSA-N	323.440	3.676	30	50	DHEA	
Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cccc(Cl)c1	71754082	PLCHEVPWHOJXJO-UHFFFAOYSA-N	323.787	3.565	30	50	DHEA	
C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)/C=C/c1cccc(C#N)c1	175718354	RFZAXTPLFSBZPF-VSJSXCSFSA-N	316.404	3.976	30	50	DHEA	
Cc1sc(NC(=O)[C@]2(C)CC2(Cl)Cl)c(C#N)c1C	2872792	INTNQWYBQGMMKT-NSHDSACASA-N	303.214	3.759	30	50	DHEA	
C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CC#N)cc1	12380803	LVIHEGQITHRFAH-LBPRGKRZSA-N	314.772	3.812	30	50	DHEA	
N#Cc1c(-c2cccc(Br)c2)cc(C2CC2)nc1N	20828805	XOYHRMTWLVAPKR-UHFFFAOYSA-N	314.186	3.842	30	50	DHEA	
O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)c1sccc1O	170598572	UHXJTJIHSCMFCF-OWOJBTEDSA-N	322.769	3.774	30	50	DHEA	
Cc1cccc([C@H](Nc2ccc(C#N)nc2)c2ccccn2)c1	253418815	VVEKANQICIHRFK-IBGZPJMESA-N	300.365	3.858	30	50	DHEA	
CCn1cc(/C(O)=N/[C@@H](c2ccc(C)cc2)c2ccccn2)cn1	328586982	ZSNAQEPYPZFIBX-SFHVURJKSA-N	320.396	3.701	30	50	DHEA	
N#C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccncc2)s1	1875270412	IPNIRUQQIPKROY-ZIAGYGMSSA-N	311.410	3.622	30	50	DHEA	
COc1ccccc1-c1n[nH]c(SCc2ccccc2C#N)n1	6701691	GNNJQDUAHDNLOP-UHFFFAOYSA-N	322.393	3.644	30	50	DHEA	
C[C@@H](/N=C(/O)[C@H]1CCCC(O)=N1)c1nc(C(C)(C)C)cs1	328830454	UVMNWYABRKDSFQ-NXEZZACHSA-N	309.435	3.967	30	50	DHEA	
COc1ccc2[nH]cc(CCNC3=CC(=O)CC(C)(C)C3)c2c1	9356355	VHMSWFIJSHSWTI-UHFFFAOYSA-N	312.413	3.582	30	50	DHEA	
C=CCc1cc(C)ccc1OCCCN1C[C@H](C)O[C@@H](C)C1	20167113	IJMONJPOIKUJHI-IRXDYDNUSA-N	303.446	3.602	30	50	DHEA	
Cc1nnc(N2C[C@@H](c3ccccc3)C3(CCC3)C2)c(C#N)c1C	334112449	DBWRRJNQGOIGJG-SFHVURJKSA-N	318.424	3.739	30	50	DHEA	
O=C1C(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)c2ccccc21	463879	ZPSWMOYAXYVLFP-UHFFFAOYSA-N	321.351	3.889	30	50	DHEA	
Cc1cccnc1C(=O)N(CC#Cc1ccccc1)CC(C)C	55053286	FNJOFNPLDMSMLK-UHFFFAOYSA-N	306.409	3.540	30	50	DHEA	
COc1ccc(C)nc1N=C(O)[C@H]1C[C@@]12CCOc1ccccc12	329917509	QWUTZEBQAIILTB-AUUYWEPGSA-N	324.380	3.727	30	50	DHEA	
N#Cc1ccccc1NC(=O)c1ccccc1Br	301501	CZTJDJDGRWTCQF-UHFFFAOYSA-N	301.143	3.573	30	50	DHEA	
N#Cc1ccc(C(=O)Nc2ccccc2N2CCCC2)c(F)c1	4842680	MAXDWQNZPSOBSZ-UHFFFAOYSA-N	309.344	3.550	30	50	DHEA	
C=CCn1cc(CN(C)Cc2csc(C(C)C)n2)c(C)n1	55343709	BVDLNDSTFHKQCD-UHFFFAOYSA-N	304.463	3.589	30	50	DHEA	
CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(C)cc2)NC(=O)N1	6205190	MMVCAAGDTBMYAT-QGZVFWFLSA-N	306.365	3.506	30	50	DHEA	
CCC/C(=C/B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1	170154194	MXQDNQSRLNMUOP-SEYXRHQNSA-N	322.063	3.976	30	50	DHEA	
CO[C@@H]1CCCCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N	170652910	WQHDXIRWBAJIDH-VXGBXAGGSA-N	313.323	3.732	30	50	DHEA	
COc1cc(C(=O)/C=C/Nc2ccccc2)cc(OC)c1OC	1776110940	INAPZIFKDZKJJA-MDZDMXLPSA-N	313.353	3.521	30	50	DHEA	
CCOc1ccc(-c2cc(C3CC3)c(C#N)c(N)c2C#N)cc1	198715	WLCWDKPUZGOGRO-UHFFFAOYSA-N	303.365	3.955	30	50	DHEA	
CC[C@@H](CC#N)NC(=O)Nc1cccc(Oc2ccncc2)c1	157437539	UWFGRXFPVOAHPW-ZDUSSCGKSA-N	310.357	3.688	30	50	DHEA	
O/C(=N/CC1(c2ccccn2)CCC1)N[C@@H]1CC12CCCCC2	329298400	UJEDNNQGVWSESV-MRXNPFEDSA-N	313.445	3.730	30	50	DHEA	
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@]1(C#N)CC12CCCC2	333675805	DKFRAWJGCWUISP-LIRRHRJNSA-N	307.397	3.552	30	50	DHEA	
O=S(=O)(/N=C(\O)c1ccccc1)c1ccc2ccccc2c1	617959	KAHWLPGWHNTGGJ-UHFFFAOYSA-N	311.362	3.533	30	50	DHEA	
CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C#N)C1	4750141	CNUJDWALAIXOJQ-BXUZGUMPSA-N	318.442	3.642	30	50	DHEA	
COc1ccc(N/C(S)=N\[C@@H](C)c2ccncc2)cc1OC	13496747	QUELKNWCLXOHQR-NSHDSACASA-N	317.414	3.558	30	50	DHEA	
C=C(C)CN/C(S)=N/C1=C(C)N(C)N(c2ccccc2)C1=C	43165565	BRVODWTUQSOIKU-UHFFFAOYSA-N	314.458	3.550	30	50	DHEA	
C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Br)cc2)C1	116800503	SCTSVTPPIYHASO-XHDPSFHLSA-N	321.218	3.651	30	50	DHEA	
C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1	615652	WQLBCYJPQHTOHU-QGZVFWFLSA-N	317.344	3.524	30	50	DHEA	
O[C@@](C#CCN1CCCCC1)(c1ccccc1)c1cccc(F)c1	4851342	OJRQBSNCRLEJGU-NRFANRHFSA-N	323.411	3.551	30	50	DHEA	
Cc1[nH]c(=O)c(C(=O)/C=C/c2ccccc2F)c2c1CCCC2	8577599	YXZKKQAZJWYKNB-ZHACJKMWSA-N	311.356	3.597	30	50	DHEA	
CCCCN(CC#Cc1ccccc1)C(=O)c1cccc(C#N)c1	55061128	DZOKJMAXISFEBY-UHFFFAOYSA-N	316.404	3.852	30	50	DHEA	
C=CCN(Cc1ccccc1OCC)C(=O)CCC(F)(F)F	55413473	AGMIJEUFVICVDP-UHFFFAOYSA-N	315.335	3.942	30	50	DHEA	
N#CCSc1nc2ccccc2c(=O)n1CC1CCCCC1	2302446	CGWHCUOIISYMPQ-UHFFFAOYSA-N	313.426	3.592	30	50	DHEA	
Cc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1	19800700	ZYQDBNZHUSNOKF-PXLXIMEGSA-N	321.468	3.764	30	50	DHEA	
N#Cc1ccc(CN2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)cc1	72158151	RQBQCRYASFWAJX-SFHVURJKSA-N	320.371	3.911	30	50	DHEA	
COc1ccccc1/C=C/c1nc(C#N)c(NCc2ccco2)o1	4840009	LFHMFFYCLQILGJ-CMDGGOBGSA-N	321.336	3.930	30	50	DHEA	
C=C(C)[C@@H]1CCC(C)=C1COC[C@@H](O)COc1ccccc1	22228923	MFDUHKNJKVNWPB-AEFFLSMTSA-N	302.414	3.746	30	50	DHEA	
FC(F)(F)C(F)(/C=C/I)C(F)(F)F	71611100	YSIHFHRTEHLZRU-OWOJBTEDSA-N	321.961	3.768	30	50	DHEA	
Cc1c(C#N)c(-c2ccc([C@@H](C)N3CCOCC3)cc2)c(C)n1C	426522870	KBFHGOFMXIPXRC-CQSZACIVSA-N	323.440	3.574	30	50	DHEA	
Cn1ccc(-c2cc(-c3ccc(O)cc3Cl)c(C#N)c(N)n2)c1	67757501	FXPVDDCGIBNYMJ-UHFFFAOYSA-N	324.771	3.567	30	50	DHEA	
CC(C)(C)c1cc(NS(=O)(=O)c2ccccc2)c(C#N)s1	1875257948	FIULSZDYFNINAL-UHFFFAOYSA-N	320.439	3.718	30	50	DHEA	
N#Cc1cc(Br)c2c(c1)nnn2C1CCCCC1	95496096	CVFQDZIXKOIQNA-UHFFFAOYSA-N	305.179	3.571	30	50	DHEA	
Cc1cc([N+](=O)[O-])c(C#N)cc1NCc1noc2ccccc12	252489378	JPUHNZCQAFCSHS-UHFFFAOYSA-N	308.297	3.528	30	50	DHEA	
N#Cc1ccccc1NC(=O)COc1ccc2ccccc2c1	143601	AVFMQYDXDVBUNN-UHFFFAOYSA-N	302.333	3.729	30	50	DHEA	
O=C1Nc2ccccc2/C1=N/N=C/c1ccc(Cl)cc1Cl	435083	YZIIOEZIPGUUJT-QGMBQPNBSA-N	318.163	3.769	30	50	DHEA	
Cc1cc(C)c(C#N)c(SCc2c(F)cccc2[N+](=O)[O-])n1	3953680	ULPDKIDHNWLQJE-UHFFFAOYSA-N	317.345	3.910	30	50	DHEA	
Cc1ccc(C)c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	4976079	GYDQEABEWIRZLY-CXUHLZMHSA-N	314.301	3.566	30	50	DHEA	
CNc1cc([N+](=O)[O-])ccc1N/C=C1/CCc2ccccc2C1=O	105242312	JDROMIKJFDOTQX-QBFSEMIESA-N	323.352	3.761	30	50	DHEA	
C[C@H]1COC[C@H]1NCCC(C#N)(c1ccccc1)c1ccccc1	932491938	NSRSXNSCCDYYIG-FXAWDEMLSA-N	320.436	3.511	30	50	DHEA	
N#Cc1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12	90118	ALMOBNZRINLJKG-UHFFFAOYSA-N	319.755	3.681	30	50	DHEA	
C=C(Br)Cn1c(C(F)(F)F)nc2ccccc21	352684	GYDZTOOTTUTRBK-UHFFFAOYSA-N	305.097	3.964	30	50	DHEA	
S=c1[nH]nc(-c2ccco2)n1/N=C/c1cccc(Cl)c1	6057787	QIHKXJMAMVEEJC-OVCLIPMQSA-N	304.762	3.736	30	50	DHEA	
CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1	18123108	AEHPFZBWBJOWJB-LJQANCHMSA-N	322.364	3.806	30	50	DHEA	
C=C(C)COc1cccc(C(=O)N(C)[C@@H](C)c2nccs2)c1	55099516	KFRLBERDMMOBMU-ZDUSSCGKSA-N	316.426	3.931	30	50	DHEA	
N#Cc1cc2c(nc1-c1cccc3cnccc13)CCSC2	2325855322	SHYRVVHNOQMYRL-UHFFFAOYSA-N	303.390	3.958	30	50	DHEA	
C=CC[C@H]1CC=C[C@@H](CC=C)N1C(=O)c1ccccc1[N+](=O)[O-]	289254	NFAXFQGMLZCARZ-CABCVRRESA-N	312.369	3.886	30	50	DHEA	
C/C(=N\N1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1	5494477	YNLRVQKBJARIBM-HMMYKYKNSA-N	313.832	3.886	30	50	DHEA	
CCOc1ccc(CC(=O)Nc2sc(C)c(C)c2C#N)cc1	7614982	AVFDNMJKEVMYDX-UHFFFAOYSA-N	314.410	3.817	30	50	DHEA	
COc1ccccc1OC1CCN(Cc2ccccc2C#N)CC1	65498149	IDJSUSOKRAKTMU-UHFFFAOYSA-N	322.408	3.610	30	50	DHEA	
CC1(C)OB(c2ccc(/C=N\c3ccccc3)cc2)OC1(C)C	169747209	QOACLCIBJOVFJC-STZFKDTASA-N	307.202	3.736	30	50	DHEA	
O/C(=N/C[C@H]1CCO[C@@H]1c1ccccc1)c1cc2occc2[nH]1	328610379	HOTPVVHFEIJAFG-CXAGYDPISA-N	310.353	3.843	30	50	DHEA	
CCN(CC)CCC#CC1(O)c2ccccc2-c2ccccc21	2270490	TUSDHBYBRLZETO-UHFFFAOYSA-N	305.421	3.638	30	50	DHEA	
Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C#N)c3N2)s1	2766581	BTVYRQUGPDQKAD-GXSJLCMTSA-N	312.320	3.785	30	50	DHEA	
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C#N	4696150	FWRJACPDWZAEHW-UHFFFAOYSA-N	303.321	3.774	30	50	DHEA	
COCO[C@H]1CCC[C@H]2C(=O)C=C3C(C)(C)CC=C[C@]3(C)[C@H]12	71786577	MMLXESSTQYAIPH-CJCBUOBESA-N	304.430	3.893	30	50	DHEA	
N#Cc1cccc(C(=O)N(c2cccc(F)c2)C2CCOCC2)c1	150943423	MQUROSVVYAOWNW-UHFFFAOYSA-N	324.355	3.523	30	50	DHEA	
C[C@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)c1cccs1	159634192	HXCSUPGKWKBOAG-KBXCAEBGSA-N	312.438	3.883	30	50	DHEA	
N#Cc1ccccc1OCCOc1c(F)c(F)cc(F)c1F	192782013	XSVXIYUJONNBMM-UHFFFAOYSA-N	311.234	3.572	30	50	DHEA	
N#CC1(c2ccccc2)CCN(CCCc2cccnc2)CC1	244794707	QRYVODDVOQFPHP-UHFFFAOYSA-N	305.425	3.572	30	50	DHEA	
Cc1nc2c(n1[C@@H]1CCN(c3ccc(C#N)cc3F)C1)CCCC2	275513514	XMEYMYOWUDWVFM-OAHLLOKOSA-N	324.403	3.533	30	50	DHEA	
CC(C)(CCC#N)CNC(=O)N1CCc2c([nH]c3ccccc23)C1	377011444	APKQLKQAQYLCNW-UHFFFAOYSA-N	324.428	3.566	30	50	DHEA	
N#Cc1cc(Cl)cc(NC(=O)NCC(F)(F)CC2CC2)c1	2325865609	JEYQQOKBQIGWPZ-UHFFFAOYSA-N	313.735	3.769	30	50	DHEA	
CC(C)c1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1	5901938	DPVPIXBMDNZJAR-YBFXNURJSA-N	323.425	3.634	30	50	DHEA	
C#Cc1cccc(C(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)c1	15068877	KMAXHEMHAUVWDK-LJQANCHMSA-N	322.383	3.524	30	50	DHEA	
C[C@@H](C#CC(O)(c1ccccc1)c1ccccc1)N1CCCCC1	67319245	JKFHVWLPAOEMOY-IBGZPJMESA-N	319.448	3.800	30	50	DHEA	
Cc1ccc(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)c(C)c1	67805306	NDWWCOKJVSPEMK-UHFFFAOYSA-N	319.364	3.572	30	50	DHEA	
C#CCCC1(CC(=O)NCc2ccc(Cl)c(Cl)c2)N=N1	2325900288	SKNCSGFUAZSVFT-UHFFFAOYSA-N	310.184	3.575	30	50	DHEA	
Oc1ccccc1/C=N/c1ccc(I)cc1	17427586	CJPPRXDQKLGUFU-OQLLNIDSSA-N	323.133	3.747	30	50	DHEA	
CCCC[C@](C)(O)C#CCN1CCCC[C@H]1c1cccnc1	245225951	BCQGGNURBLYCHL-OALUTQOASA-N	300.446	3.553	30	50	DHEA	biogenic
CC(C)c1cc(/C(O)=N/C[C@H]2CCO[C@@H]2c2ccccc2)no1	328616040	ZSMYUMHIEQEBOV-RHSMWYFYSA-N	314.385	3.880	30	50	DHEA	
CCCC[C@@H]1CN(C(=O)c2ccccc2C#N)C[C@H](C(C)C)O1	1857720354	QDQIGBWMZXSEOP-SJLPKXTDSA-N	314.429	3.614	30	50	DHEA	
Cc1cc(=O)oc2ccc(Oc3ccc(C#N)cc3[N+](=O)[O-])cc12	34141	PVYOAMQMNQMESL-UHFFFAOYSA-N	322.276	3.674	30	50	DHEA	
C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@H](c2ccsc2)O1	156416049	OFZLFSSGSPASBO-UKRRQHHQSA-N	318.442	3.511	30	50	DHEA	
CC(C)=C[C@@H]1[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C1(C)C	252517833	SNPJVTNWNZILAZ-ZENOOKHLSA-N	307.397	3.978	30	50	DHEA	
C[C@@H](NCC1CCN(c2ccccc2C#N)CC1)c1ccncc1	369896248	PRUVAOKWSSWCHB-MRXNPFEDSA-N	320.440	3.520	30	50	DHEA	
C=CCN(CC#CC(O)(c1ccccc1)c1ccccc1)CC=C	19534849	LOSRHCVMDUNWHM-UHFFFAOYSA-N	317.432	3.600	30	50	DHEA	
O=C(CCCCC#Cc1ccccc1)NCCCc1ccncc1	2325792876	SAINGZWPDNKTJW-UHFFFAOYSA-N	320.436	3.743	30	50	DHEA	
COc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1	118911	PNCXGGPCNXABHQ-UHFFFAOYSA-N	313.740	3.637	30	50	DHEA	
CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)cc1	5018536	KXEAJKVQYROPFW-JLHYYAGUSA-N	312.365	3.999	30	50	DHEA	
Sc1nnc(-c2ccccc2Cl)n1/N=C/c1ccccc1	5998840	KTGCZUILKVUFLJ-LICLKQGHSA-N	314.801	3.769	30	50	DHEA	
C=CCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1	9584371	HVGDIDSNQUMBFJ-UHFFFAOYSA-N	320.348	3.601	30	50	DHEA	
N#C[C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C1	218152930	MVUGRGCDPBCFLZ-CYBMUJFWSA-N	302.805	3.524	30	50	DHEA	
Cn1c(C(=O)O[C@@H](C#N)C2CCCCC2)cc(Cl)c1Cl	225550401	MHGBGTXTKKMWPA-LBPRGKRZSA-N	315.200	3.961	30	50	DHEA	
CC(C)[C@@H](C)N(Cc1ccco1)C(=O)c1cc(F)cc(C#N)c1	63869707	UAVOAGCYBSAWNE-CYBMUJFWSA-N	314.360	3.977	30	50	DHEA	
COc1cc(C#N)ccc1CN[C@@H](C)c1ccc(F)cc1F	181583748	SGLQPGXFUZELKP-NSHDSACASA-N	302.324	3.696	30	50	DHEA	
NN=C1[C@H]2CCC[C@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1	245240062	KUTYHXVWIWCHLG-VJANTYMQSA-N	305.425	3.803	30	50	DHEA	
Cc1nsc(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1C#N	286597240	XKGHFCSTNKXBQH-LLVKDONJSA-N	315.364	3.882	30	50	DHEA	
Cc1cccc(C(=O)N2C[C@@H](C#N)[C@H](c3ccccc3)C2)c1C	292079578	DFHSAYXZLKELCM-MJGOQNOKSA-N	304.393	3.683	30	50	DHEA	
Cc1nc(C2CC2)oc1/C(O)=N/[C@@](C)(C1CC1)C(F)(F)F	329784976	PRJDHGKYZDSSRM-ZDUSSCGKSA-N	302.296	3.896	30	50	DHEA	
C=C(C)c1cccc(C(C)(C)NC(=O)NCCc2ccncc2)c1	105830	AVDHIXHJWKOFGY-UHFFFAOYSA-N	323.440	3.892	30	50	DHEA	
COc1ccc(/C=C/C(=O)C2(OC(C)=O)CCCCC2)cc1	298429	NUKICHPSVWTZRJ-DHZHZOJOSA-N	302.370	3.544	30	50	DHEA	
Cc1ccc(CN2CCN(/N=C\C=C\c3ccccc3)CC2)cc1	19773041	XXFYHFJWJOOBED-IPVGOPCVSA-N	319.452	3.812	30	50	DHEA	
N#Cc1cccc(C2CCN(c3cc(C4CC4)ncn3)CC2)c1	91952115	SNFHLKAXRBRLCV-UHFFFAOYSA-N	304.397	3.610	30	50	DHEA	
C=CCN1C(=O)S/C(=C/c2cccn2-c2ccccc2)C1=O	4687965	UNQCYKPDHOSWRM-NTCAYCPXSA-N	310.378	3.700	30	50	DHEA	
COc1ccc(Cl)cc1Cc1noc(C2(C#N)CCCC2)n1	273782989	UCQNAGFOSZEIHE-UHFFFAOYSA-N	317.776	3.658	30	50	DHEA	
Cc1cc(C#N)nc(Oc2ccc3c(C(C)C)cc(=O)oc3c2)n1	408515579	OFNPCQMNYYTDJP-UHFFFAOYSA-N	321.336	3.679	30	50	DHEA	
C=CCCC[C@@H](NCCc1c(C)noc1C)[C@@]1(C)CCCO1	1616041346	OTYSXHGDEBOFJB-QZTJIDSGSA-N	306.450	3.718	30	50	DHEA	
C#Cc1ccc([C@@H]2CCCN2C(=O)c2cncc(Cl)c2)cc1	1875329054	BJDGDJGCQZMQMJ-KRWDZBQOSA-N	310.784	3.694	30	50	DHEA	
N#Cc1cnn2c1N[C@@H](c1ccc(Cl)cc1)C[C@@H]2C(F)F	2783498	ZQODBIGFZWPWRS-VXGBXAGGSA-N	308.719	3.771	30	50	DHEA	
C=C(C)[C@@H](Sc1nnc(-c2ccc(C)cc2C)o1)C(=O)OC	1615571319	IUZHGCIMHXAZRO-CYBMUJFWSA-N	318.398	3.563	30	50	DHEA	
O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Br)cc2)c1	61167	HIGVOCZOUAOLPM-OVCLIPMQSA-N	321.130	3.814	30	50	DHEA	
N#Cc1ccccc1CSc1nnc(Cc2ccccc2)o1	4815285	GFGFTNLVDGXZFT-UHFFFAOYSA-N	307.378	3.824	30	50	DHEA	
Cc1noc(C)c1[C@@H](C)C/C(O)=N/CC1CCN(C2CC2)CC1	329938071	DXHFRAUDGXBXRD-LBPRGKRZSA-N	319.449	3.616	30	50	DHEA	
N#Cc1ccccc1-c1ccc(-c2nccn2[C@H]2CCOC2)o1	1857666924	AKLASIKAANCOQA-AWEZNQCLSA-N	305.337	3.643	30	50	DHEA	
CNc1nc(-c2ccccc2)nc(-c2ccc(OC)cc2)c1C#N	3041129	GMPBDTMCHPPFRD-UHFFFAOYSA-N	316.364	3.733	30	50	DHEA	
COc1ccc(N/C(C)=C/C(=O)c2ccc(C)o2)c(OC)c1	5041769	MWXHYJHNPNCHAS-PKNBQFBNSA-N	301.342	3.804	30	50	DHEA	
Cc1cccc(/C(N)=N/OC(=O)c2ccc(Cl)cc2Cl)c1	5112322	YHCNOBOITOUQJZ-UHFFFAOYSA-N	323.179	3.779	30	50	DHEA	
N/C(=N\c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1	6882723	HTXQGKABTYEGBX-UHFFFAOYSA-N	310.140	3.939	30	50	DHEA	
O/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	6926352	OQBWQIXVPWLPGT-CAOOACKPSA-N	324.149	3.975	30	50	DHEA	
C=CCCC(=O)N1CCC(CCC(=O)Nc2ccccc2)CC1	11843287	LHOZZLPTHJEKKY-UHFFFAOYSA-N	314.429	3.610	30	50	DHEA	
C=C(Cl)COc1nc2cc(SC)ccc2cc1CNC	11912373	OQLIFMCYMMCCHY-UHFFFAOYSA-N	308.834	3.807	30	50	DHEA	
C=CCn1cc(CN[C@H](C)COc2c(C)cccc2C)c(C)n1	55393132	GZXZZTYUHHMLTO-MRXNPFEDSA-N	313.445	3.551	30	50	DHEA	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1	2050025006	MRPMSSDDGOXERM-XDHOZWIPSA-N	307.353	3.746	30	50	DHEA	
N#Cc1ccccc1NC(=O)c1ccc(Br)cc1	187147	RCCWLUHHKUUCHQ-UHFFFAOYSA-N	301.143	3.573	30	50	DHEA	
C=CCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1	4841223	FOXIDOZOWIEOGL-UHFFFAOYSA-N	323.308	3.877	30	50	DHEA	
C=C[C@@]12CC[C@@H]([C@@H](OCc3ccc(OC)cc3)C1=O)C2(C)C	43214654	RCNWQYVMKXISOH-FRQCXROJSA-N	300.398	3.772	30	50	DHEA	
Cc1ccccc1[C@@H]1CCCN(Cc2cc(C#N)n(C)c2C)C1	72425466	CAKQKVVJTZPUDO-QGZVFWFLSA-N	307.441	3.893	30	50	DHEA	
O=C(O)CCN1/C(=C\C=Nc2ccccc2)Oc2ccccc21	334157136	GRMYUDFDCFVVJZ-ZTEMHWLGSA-N	308.337	3.604	30	50	DHEA	
Oc1ccccc1/C=N/Nc1ncnc2sc3c(c12)CCCC3	4737284	OWLSXQUCCNCTLB-AWQFTUOYSA-N	324.409	3.722	30	50	DHEA	
CCn1cc(/C=C/C(=O)c2ccc(Br)cc2)cn1	6637017	HKRYRRGACKLURE-FPYGCLRLSA-N	305.175	3.562	30	50	DHEA	
C=CCN(C)Cc1ccc(C(=O)Nc2c(C)cc(C)nc2C)cc1	65469994	KAXQLUXWKGYJSO-UHFFFAOYSA-N	323.440	3.877	30	50	DHEA	
O=C1C[C@H](c2ccccc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	4916139	VZJIQQCEQRDRTH-UONOGXRCSA-N	323.417	3.752	30	50	DHEA	
CCCCCCCCCCCCS(=O)(=O)CCC(=O)O	17527780	BYSJGTIFJVSZIG-UHFFFAOYSA-N	306.468	3.797	30	50	DHEA	
C=C(C)COc1ccc(C(=O)N[C@H](C)c2cc(CC)no2)cc1	55165763	FRBHCESFIKKHPN-CYBMUJFWSA-N	314.385	3.683	30	50	DHEA	
CCCCOc1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1	169905035	ZIURVWZANRFZEF-UHFFFAOYSA-N	310.630	3.818	30	50	DHEA	in-vitro
C=C(C)CN1CCC(N[C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1	417307785	HHSKAFGDKUNPCS-HYVNUMGLSA-N	304.503	3.870	30	50	DHEA	
CCOc1ccc(N/C=C/C(=O)c2ccccc2)c([N+](=O)[O-])c1	8829825	DZKJXNIXWZAUPL-ZHACJKMWSA-N	312.325	3.802	30	50	DHEA	
C=CC[C@H](COCc1ccc(OC)cc1)O[C@H]1CCCCO1	43763374	YKXFWQOZFAGCTP-MSOLQXFVSA-N	306.402	3.700	30	50	DHEA	
CC(C)c1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)no1	2498030	DFPPLONANWUOAM-UHFFFAOYSA-N	315.398	3.862	30	50	DHEA	
C=CCN(Cc1cccc(Cn2cccn2)c1)Cc1ccco1	55344774	SOQUHELQUNGRGZ-UHFFFAOYSA-N	307.397	3.713	30	50	DHEA	
COc1ccc(-c2nc(C#N)c(N3C[C@@H](C)C[C@H](C)C3)o2)cc1	468606	SEMNDIUVWLVZBW-STQMWFEESA-N	311.385	3.704	30	50	DHEA	
CCN(CC)[P+](NC)(N(CC)CC)C(Cl)(Cl)Cl	4530658	PPGQBWMLCNEKJN-UHFFFAOYSA-N	323.656	3.980	30	50	DHEA	
CC(C)c1cc(-c2cccc(Cn3cccn3)c2)c(C#N)c(N)n1	67774147	VRPFMOYNODBJAF-UHFFFAOYSA-N	317.396	3.571	30	50	DHEA	
CC(=O)N1CCC[C@H](/C(O)=N/[C@@H]2CCCCC23CCCC3)C1	328587902	IKMDLFPSOKGPLD-JKSUJKDBSA-N	306.450	3.704	30	50	DHEA	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cscc1C#N	340558384	QUFPIJQIFSYGDT-YPMHNXCESA-N	314.385	3.777	30	50	DHEA	
Cn1ccc(CSCc2ccccc2C(C)(C)C#N)cc1=O	610857072	RTIMVTKYVKRJMF-UHFFFAOYSA-N	312.438	3.620	30	50	DHEA	
N#Cc1cnn2c(C(F)F)cc(-c3ccc(Cl)cc3)nc12	2766645	GNDSMDQHOLKXJI-UHFFFAOYSA-N	304.687	3.859	30	50	DHEA	
COc1cc([N+](=O)[O-])ccc1N/C=C/C(=O)c1ccc(F)cc1	4881644	VRYCDJKCOODCLS-CMDGGOBGSA-N	316.288	3.551	30	50	DHEA	
Cc1ccc(Cl)cc1N/C=C1\C(=O)ON=C1c1ccccc1	17823533	CMSCMZPGGKAKEZ-UVTDQMKNSA-N	312.756	3.905	30	50	DHEA	
CCn1c2c(c3cc(Br)ccc31)CCC/C2=N\O	18097330	CVRPKMBHUHDGNF-FOWTUZBSSA-N	307.191	3.938	30	50	DHEA	
CC(C)[C@H](C)N(Cc1ccco1)C(=O)c1cc(F)cc(C#N)c1	63869709	UAVOAGCYBSAWNE-ZDUSSCGKSA-N	314.360	3.977	30	50	DHEA	
N#Cc1cnc2ccc(Cl)cc2c1NCC1(CCO)CCC1	132661550	SUNCOOACHCYQTP-UHFFFAOYSA-N	315.804	3.724	30	50	DHEA	
Cc1cccc(/C(N)=N/OC(=O)c2ccc(C(C)(C)C)cc2)c1	4685153	RVKSIFJUYFKRIU-UHFFFAOYSA-N	310.397	3.770	30	50	DHEA	
COc1ccccc1-c1cc(-c2ccccc2)nc(N)c1C#N	19608448	SFJLLFVNAYBRCU-UHFFFAOYSA-N	301.349	3.878	30	50	DHEA	
C[C@@H]1c2nccn2CCN1c1cc(C#N)c2cc(Cl)ccc2n1	1875341430	SNHHKCZYWQFGDI-LLVKDONJSA-N	323.787	3.538	30	50	DHEA	
O=C1ON=C(c2ccccc2)/C1=C/c1c(O)ccc2ccccc12	19537679	SCGFSSUKRJWUTQ-ATVHPVEESA-N	315.328	3.890	30	50	DHEA	
N#Cc1c[nH]c(C(=O)N2CCC[C@H]2[C@H]2CCCc3ccccc32)c1	365784760	GJWVVIPCRCXPQW-HKUYNNGSSA-N	319.408	3.611	30	50	DHEA	
COC(=O)c1ccccc1Sc1nc2c(cc1C#N)CCCC2	4050973	WTWOYLFGVPUXSK-UHFFFAOYSA-N	324.405	3.770	30	50	DHEA	
N#Cc1ccc(CN2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)cc1	72158150	RQBQCRYASFWAJX-GOSISDBHSA-N	320.371	3.911	30	50	DHEA	
C=CCSc1ccccc1C(=O)NCCCN1CCCCC1	72434122	VCNVTNGBBJENMY-UHFFFAOYSA-N	318.486	3.571	30	50	DHEA	
COc1ccc([C@@H](NCC#N)c2ccc(C(F)(F)F)cc2)cc1	408513888	PKYCNOUYPBPZHX-INIZCTEOSA-N	320.314	3.917	30	50	DHEA	
Cn1/c(=N/N=C2C3CC4CC(C3)CC2C4)sc2ccccc21	4819357	LYBHBWGENXUYQM-FKVHLOHMSA-N	311.454	3.953	30	50	DHEA	
COc1cc(/C=N/Nc2ccccc2)cc(Br)c1O	5357192	ZUHSGDFHVUZADS-CXUHLZMHSA-N	321.174	3.609	30	50	DHEA	
N#Cc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1	6702819	MGAYPGJVTDNOKN-UHFFFAOYSA-N	300.358	3.569	30	50	DHEA	
N#CCCN(CCC#N)Cn1c(=S)sc2ccccc21	25664163	GXDLXEHMQVHRQF-UHFFFAOYSA-N	302.428	3.519	30	50	DHEA	
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(C(=O)OC)cc1)C2	100261671	GYRIGJTTXQVFBG-IFXJQAMLSA-N	313.397	3.794	30	50	DHEA	
Cc1cccc(N(Cc2ccccc2)C(=O)CSCC#N)c1	193032932	CABYIKROSPGWCS-UHFFFAOYSA-N	310.422	3.785	30	50	DHEA	
CCN(CC)c1ccc(NC(=O)c2ccc(C#N)cc2F)cc1	4841683	XPANEFZWGIXNMT-UHFFFAOYSA-N	311.360	3.796	30	50	DHEA	
Clc1ccccc1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12	4996174	DJMHOQNGEJHTDG-GIJQJNRQSA-N	322.759	3.606	30	50	DHEA	
Cc1nc(C#N)c(NCc2ccc3[nH]c4c(c3c2)CCCC4)o1	1857799047	LIYKQKJWMJABMJ-UHFFFAOYSA-N	306.369	3.827	30	50	DHEA	
CC1=CC[C@H](/C=N\Nc2nnc3c(n2)[nH]c2ccccc23)CC1	4611284	MBCLCMZIUDDECB-XACIZNRCSA-N	306.373	3.650	30	50	DHEA	
N#Cc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@@H](c1cccc(O)c1)N2	16651456	WMVGWPFTFAKDPZ-KFKAGJAMSA-N	306.365	3.898	30	50	DHEA	
CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N[C@H]2c1cccnc1	18244359	CSPPQBBNJPWSMK-KRWDZBQOSA-N	320.396	3.699	30	50	DHEA	
Cc1ccc(C2CC(=O)C(=CNCc3ccccc3)C(=O)C2)cc1	100672230	FJJSBZRDMBGJCX-UHFFFAOYSA-N	319.404	3.684	30	50	DHEA	
C=CCSc1nnc(-c2ccncc2)n1-c1cccc(C)c1	16285767	AUJXVBIKZOGLBM-UHFFFAOYSA-N	308.410	3.916	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21CC	253498282	WWYNJERNGUHSAO-QHOCJJNXSA-N	312.453	3.883	30	50	DHEA	fda
N#Cc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	4595471	JUFQZKJFWVOAGE-XNTDXEJSSA-N	322.414	3.964	30	50	DHEA	
N#Cc1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	4794717	UUOINMVIUHYOKW-UHFFFAOYSA-N	317.688	3.731	30	50	DHEA	
CCn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/[C@@H](C)c1cccs1	328623096	IVTIMTMLWPFVPL-YWPYICTPSA-N	319.430	3.760	30	50	DHEA	
CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(F)cc1	2338723	IDFSUYPXSUDRKE-INIZCTEOSA-N	319.376	3.690	30	50	DHEA	
Cc1n[nH]c(=S)n1/N=C/c1cccc(OCc2ccccc2)c1	5730844	OLCHJTVSRLSJCK-WOJGMQOQSA-N	324.409	3.710	30	50	DHEA	
CC[C@H]1CN(Cc2ccc(-c3ccccc3C#N)o2)CC[C@@]1(C)O	67803487	MZROBQBTYYAXSL-OXJNMPFZSA-N	324.424	3.801	30	50	DHEA	
CCOc1cccc(-c2cccc(N=C(O)c3cnccn3)n2)c1	328588723	VQYASDFEWTVEKJ-UHFFFAOYSA-N	320.352	3.574	30	50	DHEA	
CC(C)OCc1cccc(N/C(O)=N/CC(F)(F)C(F)F)c1	328589590	OXZPXIGSZDREQW-UHFFFAOYSA-N	322.302	3.838	30	50	DHEA	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cscc1C#N	340558382	QUFPIJQIFSYGDT-DGCLKSJQSA-N	314.385	3.777	30	50	DHEA	
C=CCN(Cc1ccc(C)cc1)C(=O)c1ccc(OC)cc1F	1506408695	WDAKBPXVQNIORP-UHFFFAOYSA-N	313.372	3.971	30	50	DHEA	
CCOc1cc(C#N)c(NC(=O)c2ccccc2)cc1OCC	104016	UJMJMVDGYMMOOW-UHFFFAOYSA-N	310.353	3.608	30	50	DHEA	
CCc1nc2c(s1)/C(=N/Nc1ccc(C(=O)O)cc1)CCC2	221857802	LBLPRGDOZUYPSN-CPNJWEJPSA-N	315.398	3.556	30	50	DHEA	
CCN(C(=O)c1ccc(F)c(C#N)c1)c1ccc2[nH]ccc2c1	328590587	SPSMJUXUXOIQGD-UHFFFAOYSA-N	307.328	3.845	30	50	DHEA	
C=CC[C@H]1c2cccc(C(=O)O)c2C(=O)N1c1ccc(F)cc1	209376	ZJSSRSPXIHWELZ-HNNXBMFYSA-N	311.312	3.802	30	50	DHEA	
N#Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(F)c1	4841277	VQFMWNSPEPUSQD-UHFFFAOYSA-N	319.679	3.511	30	50	DHEA	
Cc1cccc(COc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1	202560730	KVUZBADRRFIYRM-UHFFFAOYSA-N	324.229	3.873	30	50	DHEA	
CC1(C)OB(c2ccccc2NCc2ccccc2)OC1(C)C	686086751	MBEDCIWXJNORET-UHFFFAOYSA-N	309.218	3.598	30	50	DHEA	
C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cc1csc(C(C)=O)c1	1506422173	PEFXNNGZOONSCG-IUODEOHRSA-N	303.427	3.615	30	50	DHEA	
CCn1cc(Br)c(C(=O)/C=C/c2cccc(F)c2)n1	6636008	DPUNGLFNELGOHN-VOTSOKGWSA-N	323.165	3.701	30	50	DHEA	
C=CCc1cc(-c2nccn2C2CCN(C)CC2)ccc1OC	71759503	LTVGHTRJWCBOSP-UHFFFAOYSA-N	311.429	3.554	30	50	DHEA	
COc1ccc([C@H]2CC(=O)C=C(NCc3ccccc3)C2)cc1	100305125	PGIUGRRIANVBPE-QGZVFWFLSA-N	307.393	3.815	30	50	DHEA	
C[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)Cc1cccs1	153251712	ZTEZVVVCPMUOBU-SNVBAGLBSA-N	320.364	3.507	30	50	DHEA	
Cc1nn(-c2ccccc2)c(C)c1C=Nc1c(C)nn(C)c1C	239235917	WZDMUPZRKANSSB-UHFFFAOYSA-N	307.401	3.590	30	50	DHEA	
C[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	250608140	RELKJIZYBOMWHR-SWHYSGLUSA-N	307.378	3.514	30	50	DHEA	
C=CCn1c(SCc2ccccc2)nc2ccccc2c1=O	88069	ZFWPMFPKWCELRI-UHFFFAOYSA-N	308.406	3.875	30	50	DHEA	
CC1(C)OB(c2c(Cl)cc(Cl)cc2Cl)OC1(C)C	196753777	BGXCPGPJHBGRPJ-UHFFFAOYSA-N	307.413	3.946	30	50	DHEA	
Cc1nnc(N2C[C@H](c3ccccc3)C3(CCC3)C2)c(C#N)c1C	334112448	DBWRRJNQGOIGJG-GOSISDBHSA-N	318.424	3.739	30	50	DHEA	
CC(C)(C)c1cnc(N2CCC[C@H]2[C@H]2CCCOC2)c(C#N)c1	1875287157	WRJJUEUXSXGTJR-YOEHRIQHSA-N	313.445	3.646	30	50	DHEA	
COc1ccc(C(=O)/C=C/Nc2ccc(F)cc2)cc1OC	4179382	IKDIYEYPJDUUCL-MDZDMXLPSA-N	301.317	3.651	30	50	DHEA	
Cc1nc(N/N=C/c2ccccc2O)c2c3c(sc2n1)CCC3	4738416	BPTNSTSIVHCNGH-GIJQJNRQSA-N	324.409	3.640	30	50	DHEA	
C=CCC(=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2)C1	15076695	QDWPYLVOSCNMEK-FQEVSTJZSA-N	318.505	3.847	30	50	DHEA	
C(=C/c1ccccc1)\C=N\N1CCN(Cc2ccccc2)CC1	19771460	IUYKBDHNKXPWCD-VPQCTDNWSA-N	305.425	3.503	30	50	DHEA	
CCn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/[C@@H](C)c1ccccc1	328626457	LSDTZRBIHDCCQY-YSVLISHTSA-N	313.401	3.698	30	50	DHEA	
OC(=Nc1cccc(Oc2ccccn2)c1)N1C[C@H]2CCC[C@@H]21	329917669	FNRVIGGSZVRLBB-CJNGLKHVSA-N	309.369	3.904	30	50	DHEA	
COc1cc(OC)c(C(=O)/C=C/c2ccc(C)cc2)c(OC)c1	4100778	WHMKGWDMDYPXRP-MDZDMXLPSA-N	312.365	3.917	30	50	DHEA	
Cc1ccc(/C(N)=N/OC(=O)Cc2cccc3ccccc23)cc1	13497494	XOOXMKYGJFEMFJ-UHFFFAOYSA-N	318.376	3.554	30	50	DHEA	
C[C@H](CC(F)(F)F)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	457598028	BFUXMDKHXNCKNS-VHDGCEQUSA-N	324.346	3.873	30	50	DHEA	
C[C@]1(C#N)CCCN(Cc2ccc(C(F)(F)F)cc2F)C1	826679674	NSSMTNGRPCSSBH-CQSZACIVSA-N	300.299	3.970	30	50	DHEA	
N#Cc1cccc(-c2nccn2-c2ccc(C(=O)O)c(Cl)c2)c1	77428979	HYFQUNOKWCJRJA-UHFFFAOYSA-N	323.739	3.763	30	50	DHEA	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]2CCCC[C@H]21	152741250	ZYLXMHNHDITQPN-YXJHDRRASA-N	312.413	3.507	30	50	DHEA	
C=C(C)COc1ccc(NC(=O)NCCC[C@@H]2CCOC2)cc1	96138862	RWWXPANZADMLLG-OAHLLOKOSA-N	318.417	3.580	30	50	DHEA	
CCCCn1ccnc1C1CCN(Cc2cccc(C#N)c2)CC1	91737523	KVMDABWXEPPVJU-UHFFFAOYSA-N	322.456	3.934	30	50	DHEA	
[N-]=[N+]=Nc1ccc(OCCCCCC[C@]2(C(=O)O)CO2)cc1	1875387429	IFTRQDZEQTULOA-OAHLLOKOSA-N	305.334	3.811	30	50	DHEA	
COc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1	19558035	DQKWSXKCIHNLIE-UHFFFAOYSA-N	301.349	3.878	30	50	DHEA	
CC(=O)/C=C/c1c(Br)cccc1OC(F)(F)F	85477351	KHRPNNZODGRFMN-AATRIKPKSA-N	309.081	3.950	30	50	DHEA	in-vitro
CC1(C)OB(c2ccc([Si](C)(C)C(C)(C)C)s2)OC1(C)C	169904286	MFZCBIXOSHMSCR-UHFFFAOYSA-N	324.371	3.763	30	50	DHEA	
C[C@H](c1ccc2ccccc2c1)N(C)C(=O)c1ccc(C#N)nc1	1506407318	MSSXHYZQUNWHGO-CQSZACIVSA-N	315.376	3.940	30	50	DHEA	
CC(C)Cn1cncc1CN1CCC(C#N)(c2ccccc2)CC1	1506427147	KMUZAUAPCNQRIN-UHFFFAOYSA-N	322.456	3.596	30	50	DHEA	
C#C[C@@](C)(CC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	104012	JKVAQZFSYDSZTR-BONVTDFDSA-N	314.212	3.679	30	50	DHEA	
N#Cc1c(NC(=O)c2cccc(F)c2)sc2c1CCCC2	258894	CWYIQAQYHPKOAV-UHFFFAOYSA-N	300.358	3.890	30	50	DHEA	
CO/N=C/c1cc([N+](=O)[O-])ccc1Sc1cccc(OC)c1	4072862	MHBCLRVCDQPCSI-MHWRWJLKSA-N	318.354	3.735	30	50	DHEA	
Oc1ccc(/C=N/n2c(C3CCCCC3)n[nH]c2=S)cc1	5996692	XVHTUTGHTNCYEV-MHWRWJLKSA-N	302.403	3.576	30	50	DHEA	
C=CCCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)c(OC)c1	55134068	WKQIZIANXSSYSX-UHFFFAOYSA-N	318.417	3.975	30	50	DHEA	
O=C1CCCC2=C1C(c1ccc(F)cc1)C1=C(CCCC1=O)O2	258665	GNTFUMYNORSNDH-UHFFFAOYSA-N	312.340	3.954	30	50	DHEA	
N#CCC[C@](C#N)(c1ccc(F)cc1)c1cccc(F)c1C#N	3133849	WPRUZUKJLOHPQS-SFHVURJKSA-N	307.303	3.950	30	50	DHEA	
CC(=O)Oc1ccc(N=C2C=C(Cl)C(=O)C(Cl)=C2)cc1	4916805	TTWHMYKNQLOAIV-UHFFFAOYSA-N	310.136	3.513	30	50	DHEA	
C=CCn1c(S)nnc1-c1sc(-c2ccccc2)nc1C	5721796	JPJBPIQJSFCZGD-UHFFFAOYSA-N	314.439	3.852	30	50	DHEA	
N#Cc1cccnc1SCC(=O)Nc1cccc2ccccc12	7051450	HCPKTNOCVHDPKJ-UHFFFAOYSA-N	319.389	3.837	30	50	DHEA	
COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C#N)c(C#N)c1	152594856	FMNZFPRIHRBURP-CYBMUJFWSA-N	319.364	3.571	30	50	DHEA	
CC[C@H](O)/C=C/[C@@H]1C=CC(=O)[C@@H]1CCCCCCCC(=O)O	197550544	OXXJZDJLYSMGIQ-BKAHTCAJSA-N	308.418	3.500	30	50	DHEA	in-vitro
O=C(O/N=C1/CCOc2ccccc21)c1ccccc1Cl	4646541	JZQKLCWYKDKUQH-JXAWBTAJSA-N	301.729	3.684	30	50	DHEA	
CSc1ccc(/C=N\N2CCN(c3ccccc3)CC2)cc1	13113991	FEUJFHLHUSWSKD-CYVLTUHYSA-N	311.454	3.565	30	50	DHEA	
C[C@@H](OC1CCCCCC1)C(O)=Nc1nc2cccnc2[nH]1	330244559	XHPFKVVNYFVYEE-LLVKDONJSA-N	302.378	3.674	30	50	DHEA	
C=CCOc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1	4842128	YCIAEKMJCCMDFF-UHFFFAOYSA-N	323.308	3.877	30	50	DHEA	
C=C(C)COc1cccc(NC(=O)c2ccccc2C(=O)O)c1	9823711	JQLBBNANQZTKLW-UHFFFAOYSA-N	311.337	3.592	30	50	DHEA	
Cc1cccc(/C(N)=N/OC(=O)Cc2cccc3ccccc23)c1	13497423	WJOZEVPCONWXLB-UHFFFAOYSA-N	318.376	3.554	30	50	DHEA	
CCc1[nH]c(C#N)cc1-c1ccc([C@H](C)N2CCOCC2)cc1	426716169	SHONFFASDMGFBV-AWEZNQCLSA-N	309.413	3.509	30	50	DHEA	
CC(=O)c1cc(C#N)c(SCc2ccccc2F)nc1C	50052	ZKGOGEQMPYIBGT-UHFFFAOYSA-N	300.358	3.896	30	50	DHEA	
N#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc12	374545	PXZIDPTURRXVMP-UHFFFAOYSA-N	322.677	3.940	30	50	DHEA	
CC(/C=N/n1c(S)nnc1-c1ccco1)=C\c1ccccc1	4904535	NNIHUDSQNQLACM-SVSXJNCISA-N	310.382	3.764	30	50	DHEA	
O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ccccn3)o2)cc1	4982597	VUSILNLOUCCVQL-WOJGMQOQSA-N	308.297	3.696	30	50	DHEA	
Cc1cccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)c1	5969757	NAXPPNXDAMQARB-VCHYOVAHSA-N	312.373	3.937	30	50	DHEA	
Cc1ccsc1/C=N/n1c(S)nnc1C1CCCCC1	9007995	HFCJLKZGRPUKMW-OQLLNIDSSA-N	306.460	3.867	30	50	DHEA	
COc1ccc(C(=O)/C=C(\C)Nc2ccc3c(c2)OCO3)cc1	101268339	PXGIFHBWESHBNQ-FMIVXFBMSA-N	311.337	3.623	30	50	DHEA	
CC[C@H](C)[C@@H](OC)C(=O)Nc1cc(C(C)(C)C)sc1C#N	331183611	SQWSNEGBTQHXTO-IINYFYTJSA-N	308.447	3.917	30	50	DHEA	
Clc1ccc(N2CCN(/N=C\c3cccs3)CC2)cc1	5033676	RXEMUGATXIBAJW-ATVHPVEESA-N	305.834	3.558	30	50	DHEA	
CC1(C)OB(c2ccc(OCC3CCCCC3)cc2)OC1(C)C	197028509	RQUKGIZGZWTYHS-UHFFFAOYSA-N	316.250	3.945	30	50	DHEA	
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2/C(=N/N)C[C@@]2(C)CCC[C@H]12	257345985	OACCTZFVZNCBCK-BFJDSQQGSA-N	304.478	3.705	30	50	DHEA	
CCc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1	90110	FGLPZNWOSAGGBO-UHFFFAOYSA-N	313.364	3.590	30	50	DHEA	
C=CCn1c(SC/C=C(/C)Cl)nc2ccccc2c1=O	348735	CPKWOPVFRYIGFL-FLIBITNWSA-N	306.818	3.817	30	50	DHEA	
CC(C)c1ccc(/C=N\N2CCN(c3ccccc3)CC2)cc1	12382921	BGKOUGDGYUIOHH-PGMHBOJBSA-N	307.441	3.966	30	50	DHEA	
O=C1C(Cl)=C(Nc2ccc(F)cc2)C(=O)c2ccccc21	118905	RUXCQXYRMAOHGI-UHFFFAOYSA-N	301.704	3.767	30	50	DHEA	
Cc1noc(C)c1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	1053580	VRXBBLZUPFKQLA-QMMMGPOBSA-N	315.398	3.602	30	50	DHEA	
C=CCN(C(=O)CCc1c(C)noc1Cl)c1ccccc1	408517873	YRTSVQYFMXNVOS-UHFFFAOYSA-N	304.777	3.788	30	50	DHEA	
CCCC[C@@H]1CCCN1C(=O)c1ccc(C#CC(C)(C)O)cc1	952992228	YWGRQFBVCMHDNE-GOSISDBHSA-N	313.441	3.604	30	50	DHEA	
C=CCOc1ccccc1/C=N/NC(=S)Nc1ccccc1	25758221	IOFCBKRQQUSIKM-QGOAFFKASA-N	311.410	3.572	30	50	DHEA	
COCc1csc(N=C(O)N(C)[C@H](C)C2CCCCC2)n1	330423207	BLOPMWUMFYMNBC-LLVKDONJSA-N	311.451	3.736	30	50	DHEA	
O=C(CC1=C(c2ccccc2)CCC1=O)NCc1cccs1	827801651	YDQNMEDGKDGWCU-UHFFFAOYSA-N	311.406	3.571	30	50	DHEA	
O=C1C(Cl)=C(Nc2cccc(F)c2)C(=O)c2ccccc21	303218	VEYOPWCEBOMGQT-UHFFFAOYSA-N	301.704	3.767	30	50	DHEA	
CC(C)Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1	2498114	BTWFOZDRYNSXRJ-UHFFFAOYSA-N	315.398	3.547	30	50	DHEA	
CC1=NN([C@H](C#N)c2ccc(Br)cc2)C(C)(C)C1	4723606	FAUKGOBHZYNFGS-CYBMUJFWSA-N	306.207	3.874	30	50	DHEA	
CC(=O)N(O)CCCOc1ccc(-c2ccc(F)cc2F)cc1	45068895	CQRWTYCKQMQATJ-UHFFFAOYSA-N	321.323	3.638	30	50	DHEA	
CN(CC#N)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	182262638	OSAWKWJASHFFNE-UHFFFAOYSA-N	302.418	3.583	30	50	DHEA	
CCc1[nH]c(C#N)cc1-c1ccc([C@@H](C)N2CCOCC2)cc1	426716171	SHONFFASDMGFBV-CQSZACIVSA-N	309.413	3.509	30	50	DHEA	
COc1cccc(C(=O)/C=C/Nc2cc(OC)ccc2OC)c1	461371	DTKMKPUPICGKGR-MDZDMXLPSA-N	313.353	3.521	30	50	DHEA	
C=CCn1c(S)nnc1[C@@H](C)Oc1ccc(Cl)c(C)c1	17032061	QKVAFUUYAUSKTH-SNVBAGLBSA-N	309.822	3.855	30	50	DHEA	
Cc1ccc(/C=C2\CNC/C(=C\c3ccc(C)cc3)C2=O)cc1	17195927	PKCYYPHSCUSQDK-AYKLPDECSA-N	303.405	3.943	30	50	DHEA	in-vitro
N#Cc1ccc(C(=O)NC2(c3ccccc3F)CC2)cc1Cl	157315138	HLZMKMSOEMWEJO-UHFFFAOYSA-N	314.747	3.770	30	50	DHEA	
N#Cc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@@H](c1cccc(O)c1)N2	222358824	WMVGWPFTFAKDPZ-ATZDWAIDSA-N	306.365	3.898	30	50	DHEA	
N#C[C@@H]1CCCN(C(=O)c2cccc(-c3cc(F)ccc3O)c2)C1	426479892	ZQSDHJSSGVESAQ-ZDUSSCGKSA-N	324.355	3.574	30	50	DHEA	
CC(C)[C@H](C#CC(O)(c1ccccc1)c1ccccc1)N(C)C	1234566	MOYQRHPXYJSAIP-FQEVSTJZSA-N	307.437	3.512	30	50	DHEA	
Cc1nc(N/N=C/c2ccco2)c2c3c(sc2n1)CCCC3	4159875	KJTSJSMZTMEBDJ-RQZCQDPDSA-N	312.398	3.918	30	50	DHEA	
Cc1cc([C@@H]2CCCN2C(O)=Nc2c(C)noc2C2CC2)on1	329795468	CYANDCRDURRXIH-LBPRGKRZSA-N	316.361	3.539	30	50	DHEA	
N#CCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1	2381382	NGOJXXLIRPWZJK-UHFFFAOYSA-N	304.378	3.821	30	50	DHEA	
COC(=O)C1=CC(=O)[C@@]2(C)CCc3c(ccc4ccccc34)[C@H]12	4532768	TVQYYCZBEKLJIM-UYAOXDASSA-N	306.361	3.558	30	50	DHEA	
Cc1ccc(S(=O)(=O)OC[C@@H]2CCCc3ccccc32)cc1	4543122	ADMICVKNOCRGAY-INIZCTEOSA-N	316.422	3.820	30	50	DHEA	
Cc1ccccc1OCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1	310513063	QXEZGNJRKQEFLI-UHFFFAOYSA-N	324.229	3.873	30	50	DHEA	
Cc1ccccc1C(=O)O/N=C(\N)c1ccc(Cl)cc1Cl	5010400	GKNLCQACLOCJGC-UHFFFAOYSA-N	323.179	3.779	30	50	DHEA	
CC(C)(CO)n1cnc(-c2ccccc2)c1-c1ccc(C#N)cc1	65453370	QIDOGJDOPWJSPH-UHFFFAOYSA-N	317.392	3.816	30	50	DHEA	
C=C[C@H](CC=O)NC(=O)OCC1c2ccccc2-c2ccccc21	218906195	SUHRKWYKVUXTFN-CQSZACIVSA-N	321.376	3.669	30	50	DHEA	
Cc1c(CN[C@H](CC(C)(C)C)c2cccnc2)cc(C#N)n1C	952981794	KNIACTGQHQJEDR-GOSISDBHSA-N	310.445	3.867	30	50	DHEA	
Cc1cc(C#N)cc(Oc2cccc(Oc3cnccn3)c2)n1	1186325789	VWEIAWULUBXZFR-UHFFFAOYSA-N	304.309	3.636	30	50	DHEA	
C=CCOc1cccc(C(=O)NCc2ccccc2Cl)c1	2875903	KYJRPTWRDBUNQJ-UHFFFAOYSA-N	301.773	3.835	30	50	DHEA	
C=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccccn2)c1	287200	UWMIESXNBUNWRS-UHFFFAOYSA-N	309.413	3.849	30	50	DHEA	
Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2F)cc1	1261649	RYRKMMCDTPQVOL-VCHYOVAHSA-N	312.373	3.937	30	50	DHEA	
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	3881635	CHNXZKVNWQUJIB-CEGNMAFCSA-N	312.453	3.883	30	50	DHEA	endogenous,world
C#CCCC1(CCNC(=O)C23C[C@H]4C[C@@H](CC(C)(C4)C2)C3)N=N1	2325891661	UOJARUANKVFFOI-QEFXCSQDSA-N	313.445	3.675	30	50	DHEA	
Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/C(C)C	328602737	CQDCJUSMMLLFEY-YOEHRIQHSA-N	313.401	3.623	30	50	DHEA	
CC(/C=N/N1CCN(Cc2ccccc2)CC1)=C\c1ccccc1	12342813	HBIXGQWYCSADMV-PNLNHYMSSA-N	319.452	3.894	30	50	DHEA	
CC(C)n1nccc1[C@H]1OCC[C@@H]1/N=C(/O)C1C(C)(C)C1(C)C	329198171	UNBBUABULJFKOV-JSGCOSHPSA-N	319.449	3.933	30	50	DHEA	
Cc1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1	77153	FNESYDFRCQEEKA-UHFFFAOYSA-N	323.359	3.788	30	50	DHEA	
Oc1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc1	4527972	MLZSDDSLONMHBU-AWQFTUOYSA-N	324.409	3.722	30	50	DHEA	
Cc1cccc(/C(N)=N/OC(=O)c2cccc3ccccc23)c1	4978294	SLAZJGZRDWUMRR-UHFFFAOYSA-N	304.349	3.626	30	50	DHEA	
O=[N+]([O-])c1cccc(/N=C/C=C/Nc2cccc([N+](=O)[O-])c2)c1	5338067	FCIJWZUFJHJWDE-KOSHFZKLSA-N	312.285	3.831	30	50	DHEA	
CCOc1ccc(/C=N/N=c2\sc3ccccc3n2C)cc1	16193376	BDHAGLCINJTKHF-LFQOXGNUSA-N	311.410	3.573	30	50	DHEA	
C[C@@H](CC#N)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	159708849	OXWBYHADEJHLDN-ZDUSSCGKSA-N	320.352	3.774	30	50	DHEA	
CC(C)[C@@H]1CN(Cc2ccccc2)/C(=N/Cc2ccccc2)N1	1775993745	JIUJLUWZKDDQPX-IBGZPJMESA-N	307.441	3.673	30	50	DHEA	
N#Cc1ccc(C(=O)Nc2ccccc2Br)c(F)c1	4858270	KSZQSLMDIPSFRT-UHFFFAOYSA-N	319.133	3.712	30	50	DHEA	
N#Cc1cccc(NC(=O)N2CCCC[C@H]2c2nccs2)c1	176263163	BSWXRROCSZEUIT-AWEZNQCLSA-N	312.398	3.774	30	50	DHEA	
N#CC1(c2ccccc2)CCN(Cc2nc3ccccc3[nH]2)CC1	215728298	ROTVGYNCNZDTIM-UHFFFAOYSA-N	316.408	3.620	30	50	DHEA	
CC[C@H](/N=C(/O)N1CCOCC2(CCC2)C1)c1cccs1	328587398	MILGBEUZGZMGQB-ZDUSSCGKSA-N	308.447	3.616	30	50	DHEA	
CCOC(=O)[C@@H](C)[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1	953019027	BICUCHDJTUIKRJ-STQMWFEESA-N	308.227	3.544	30	50	DHEA	
O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)c1sccc1O	170598571	ZMOMTCWPPNHPKJ-DAFODLJHSA-N	309.730	3.911	30	50	DHEA	
CCOc1cc(/C=N/n2cnc3ccccc32)c2c(c1)C[C@H](C)O2	170601207	PULNHHKOFZEPNY-PUFAJPFRSA-N	321.380	3.641	30	50	DHEA	
CC1(C)CC(=O)C(=CNc2ccc(Br)cc2)C(=O)C1	190140	XWWPVVAKGFMVOF-UHFFFAOYSA-N	322.202	3.703	30	50	DHEA	
C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2	2469447	NHEMMNWLHMTLDB-AWEZNQCLSA-N	309.365	3.579	30	50	DHEA	
COc1ccccc1/C=N/Nc1nnc(Cl)c2ccccc12	17138914	MRQTWXIFWJCVKL-VCHYOVAHSA-N	312.760	3.738	30	50	DHEA	
C=CC[C@@H]1N(Cc2nnc3n2CCCCC3)CCCC1(C)C	252485763	HDGWWWZICUVYSO-HNNXBMFYSA-N	302.466	3.571	30	50	DHEA	
CCc1ccc(C)c(NC(=O)C[n+]2csc3ccccc32)c1	5667205	VXFWZYKWNPRROG-UHFFFAOYSA-O	311.430	3.698	30	50	DHEA	
N#C[C@H](c1ccc(Br)cc1)c1ccc(Cl)nn1	15442831	WFTRIOMRNXGRIB-SNVBAGLBSA-N	308.566	3.548	30	50	DHEA	
CCc1ccc(/C=C/C(=O)C2C(=O)c3ccccc3C2=O)cc1	100250755	ANJMMLNYLVFNFX-VAWYXSNFSA-N	304.345	3.527	30	50	DHEA	
C[C@H](CC(F)(F)F)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	457598027	BFUXMDKHXNCKNS-SNPRPXQTSA-N	324.346	3.873	30	50	DHEA	
CC(C)c1ccc(-n2cc(CN3CCC(C#N)CC3)cn2)cc1	215937800	VHOJBYDKQAFDDV-UHFFFAOYSA-N	308.429	3.731	30	50	DHEA	
CCc1cc(C#N)ccc1NC(=O)N(C)CC[C@@H]1CCCCO1	299792201	FTHKTSMKCIZTTG-INIZCTEOSA-N	315.417	3.544	30	50	DHEA	
C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@]1(C#N)CC12CCCC2	333675391	DKFRAWJGCWUISP-AUUYWEPGSA-N	307.397	3.552	30	50	DHEA	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](B1OC(C)(C)C(C)(C)O1)C2	950757505	LNPLYXHKIVTDJN-AVGNSLFASA-N	323.242	3.621	30	50	DHEA	
C[C@H](C#N)Oc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1	171541563	GJFZXVIFXRXGSE-OJLMPMFISA-N	323.323	3.775	30	50	DHEA	
C=CCNCC[C@H]1CCC(=O)N1[C@H](C)c1ccc(Cl)cc1	14954990	XKHYVTFVRABDSZ-CZUORRHYSA-N	306.837	3.558	30	50	DHEA	
Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)cc3)S2)cc1C	5376330	XLYIYJMPCQSSOW-YBEGLDIGSA-N	324.405	3.901	30	50	DHEA	
CCCN(CCC)Cc1ccccc1B1OC(C)(C)C(C)(C)O1	169808888	JAKOABILTPIYRQ-UHFFFAOYSA-N	317.282	3.608	30	50	DHEA	
Cc1ccc(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1	170007573	PMDZPBJUGROKSG-UHFFFAOYSA-N	322.213	3.525	30	50	DHEA	
N#C[C@H]1CC[C@@H](N2CC(Cc3cccc(Br)c3)C2)C1	888095902	DXBSMSXNZWGCBY-XJKSGUPXSA-N	319.246	3.616	30	50	DHEA	
C#CCCC1(CCC(=O)N2CCc3cccc(Cl)c3C2)N=N1	952882125	RUPZJQAHYPHRAV-UHFFFAOYSA-N	315.804	3.580	30	50	DHEA	
CCc1ccccc1NC(=O)CNc1cccc(Cl)c1C#N	1857531680	XUMYXJAGNUCUFE-UHFFFAOYSA-N	313.788	3.825	30	50	DHEA	
COc1ccccc1C/N=C(/S)NCc1ccc(Cl)cc1	610823	RZVBHRNGWCUQOA-UHFFFAOYSA-N	320.845	3.924	30	50	DHEA	
O=C(O)c1ccc(N/C=C/C(=O)c2ccc(Cl)cc2)cc1	18029842	PCJFXKGWPKIQBM-MDZDMXLPSA-N	301.729	3.847	30	50	DHEA	
N#Cc1cc(Cl)ccc1CNc1cccc(Cl)c1C(N)=O	184474135	JAPNORPVXSWUKM-UHFFFAOYSA-N	320.179	3.576	30	50	DHEA	
C#CCn1/c(=N\C(=O)Nc2ccccc2)sc2cc(C)ccc21	404894	LDKQJXQSUVZCHD-CZIZESTLSA-N	321.405	3.777	30	50	DHEA	
CCOCC1(COCC)CC=C(B2OC(C)(C)C(C)(C)O2)CC1	222498770	GIXOPYJCIWZJDU-UHFFFAOYSA-N	324.270	3.788	30	50	DHEA	
Cc1c(Cc2ccccc2)c(N)n2c(nc3ccccc32)c1C#N	390684	GXKZMMVXZMXOKD-UHFFFAOYSA-N	312.376	3.841	30	50	DHEA	
COc1ccccc1O[C@H](C)N/N=C(\C)c1ccc2c(c1)CCC2	43761340	FGOTZTAZEPNURX-HFITWMCCSA-N	324.424	3.923	30	50	DHEA	
COc1ccc(/C=C2/CCOc3ccc(OC)cc3C2=O)cc1	122458858	RWUAGYPLKFDXBY-KAMYIIQDSA-N	310.349	3.753	30	50	DHEA	
CC(C)=C1Oc2c(ccc3c2[C@@H](CC(C)C)CC(=O)O3)C1=O	217911909	KZXYJISOKXUNBY-NSHDSACASA-N	300.354	3.994	30	50	DHEA	biogenic
C=CC[C@@H](CC)NC(=O)Nc1ccc(Oc2ncccn2)cc1	253431796	UPPYVGGYWGEUHH-CYBMUJFWSA-N	312.373	3.745	30	50	DHEA	
C#CCCC1(CCC(=O)N[C@@H](c2ccccc2)C2CCC2)N=N1	952881608	ORUXDBJGMGPRBY-SFHVURJKSA-N	309.413	4.000	30	50	DHEA	
CCc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1	2770947	RQQDWMLGAMMXFB-ZIAGYGMSSA-N	320.318	3.977	30	50	DHEA	
O=[N+]([O-])c1ccccc1N/N=C/c1c(O)ccc2ccccc12	4119176	MFHNQBNMGLQOAZ-WOJGMQOQSA-N	307.309	3.900	30	50	DHEA	
Cc1ccc(CN2CCN(/N=C/c3ccccc3C)CC2)c(C)c1	19834000	SBHDDCJNQVVHJW-PXLXIMEGSA-N	321.468	3.764	30	50	DHEA	
CC(C)(C)CN(CCC#N)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1	156933498	YANWUVIZVMZKFW-UHFFFAOYSA-N	323.780	3.650	30	50	DHEA	
Cc1nc(CCN2CCC(C#N)(c3ccccc3)CC2)cs1	244828604	TZFZHOAQYTZLLK-UHFFFAOYSA-N	311.454	3.551	30	50	DHEA	
Cn1c(Cl)cnc1/C=C/C(=O)c1cccc(C(F)(F)F)c1	253401001	MQVOZWDDISRXRH-AATRIKPKSA-N	314.694	3.988	30	50	DHEA	
N#Cc1ccncc1N1CCC(c2noc3cc(F)ccc23)CC1	291148309	OUEQEFMAKNOHJO-UHFFFAOYSA-N	322.343	3.618	30	50	DHEA	
N#CC[C@@H](Nc1cnc2cc(F)c(F)cc2n1)c1ccccc1	2325732646	GHPXBLLTTYTSQJ-CQSZACIVSA-N	310.307	3.975	30	50	DHEA	
C[C@@H]1CCC/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C	32450987	SBGRMEQAXBQFOZ-HDNPNFOBSA-N	306.322	3.727	30	50	DHEA	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2Cc2ccc(C#N)cc2)C1	242302297	YREPJBDPCOHFDG-NMLACTOBSA-N	312.457	3.710	30	50	DHEA	
Cc1cc(C(=O)N(C)c2ccccc2C#N)c2cnccc2c1	1875338820	MZKAGFWSCHMGEU-UHFFFAOYSA-N	301.349	3.692	30	50	DHEA	
C#C[C@@](C)(CC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	104006	JKVAQZFSYDSZTR-BMIGLBTASA-N	314.212	3.679	30	50	DHEA	
C=CCN(Cc1ccc(C)s1)C(=O)c1snnc1C(C)C	65395165	LILKUGBBTUMZNR-UHFFFAOYSA-N	321.471	3.860	30	50	DHEA	
Cc1ccc([C@H]2OCCC[C@@H]2CNc2nc(C)cc(C#N)n2)cc1	288309323	IKMAZRMFQZVZCD-SJLPKXTDSA-N	322.412	3.545	30	50	DHEA	
O/C(=N/Cc1nccc(C(F)F)n1)C1C2CC3CC(C2)CC1C3	329750886	ILOOKJSKVKWYBZ-UHFFFAOYSA-N	321.371	3.943	30	50	DHEA	
N#Cc1c(NC(=O)Cc2ccc(Cl)cc2)sc2c1CCC2	309845	RLYCQRJMLNOOSP-UHFFFAOYSA-N	316.813	3.943	30	50	DHEA	
CC(=O)O/N=C1\CCc2c1cc1ccccc1c2Br	440208	VFUXHMILGNZRHZ-SAPNQHFASA-N	318.170	3.816	30	50	DHEA	
C=CCc1cc(Cl)ccc1OCCOCCNC(C)(C)C	3462005	HTVVDYYDPMZDDC-UHFFFAOYSA-N	311.853	3.852	30	50	DHEA	
C=C(C)CN(C)Cc1ccc(C(=O)Nc2cc(C)ns2)cc1	65468897	YDYXWCXKWSTASW-UHFFFAOYSA-N	315.442	3.712	30	50	DHEA	
C=CC[C@@]1(CO)CCCN(Cc2cc(C3CCCCC3)no2)C1	91416956	WJWKHZJHBNARQS-LJQANCHMSA-N	318.461	3.873	30	50	DHEA	
Cc1nc(C#N)ccc1C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1	1875369088	QCGSOHJIZRWAGQ-RDTXWAMCSA-N	319.408	3.528	30	50	DHEA	
Cc1ccc(-c2nnc(S)n2/N=C/C=C/c2ccco2)cc1	6199509	BNASEDGWYLQEHM-PAKBQEMXSA-N	310.382	3.683	30	50	DHEA	
N#Cc1ccc(Oc2cccc(CN3CCCC3)c2Cl)nc1	67885448	VCEXJJCVMNMXIE-UHFFFAOYSA-N	313.788	3.995	30	50	DHEA	
C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2noc(C3CC3)n2)C1	229913007	UNIWKXYEIBSUPQ-CXAGYDPISA-N	322.412	3.759	30	50	DHEA	
C[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]32)C/C1=N\N	253500289	WYIOTJMJDQSAEQ-UBULEUJVSA-N	318.505	3.951	30	50	DHEA	
N#Cc1c(F)cccc1N1CCC[C@H]1c1nc2c([nH]1)CCCC2	275769263	XMOHSEFASTVQFZ-KRWDZBQOSA-N	310.376	3.641	30	50	DHEA	
C=CCc1cccc2cc(C(=O)OCc3ccccc3)c(=O)oc12	1214060	XEZKGOMUKLNVKR-UHFFFAOYSA-N	320.344	3.879	30	50	DHEA	
Oc1ccccc1/C=N/[C@@H]1CCCC[C@H]1/N=C/c1ccccc1O	4662662	WCSLPBBQHFXWBW-BGSCIDCASA-N	322.408	3.947	30	50	DHEA	
C#CCN1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O	4818785	QWJAWYAEVNXEPD-RVDMUPIBSA-N	309.346	3.616	30	50	DHEA	
Oc1c(Cl)cc(Cl)cc1/C=N/Nc1ccc(Cl)nn1	4947418	SGXVUVPJMPIKFN-PJQLUOCWSA-N	317.563	3.588	30	50	DHEA	
Fc1cccc(Cl)c1/C=N\N1CCN(c2ccccc2)CC1	15685139	DUBIUPVDOCJPSK-MOSHPQCFSA-N	317.795	3.635	30	50	DHEA	
Cc1cc([C@H]2CCCN2C(O)=Nc2c(C)noc2C2CC2)on1	329795467	CYANDCRDURRXIH-GFCCVEGCSA-N	316.361	3.539	30	50	DHEA	
C[C@@H]1COC[C@H]1NCCC(C#N)(c1ccccc1)c1ccccc1	932491944	NSRSXNSCCDYYIG-YLJYHZDGSA-N	320.436	3.511	30	50	DHEA	
CC(C)(O)CCn1ccnc1-c1ccc(-c2ccccc2C#N)o1	1857709194	KHNXWHZYUNMKNB-UHFFFAOYSA-N	321.380	3.843	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C#N)s2)cc1	1875329405	UJGHVJOTMYRCRF-MRXNPFEDSA-N	306.390	3.578	30	50	DHEA	
CCOc1ccc(N/C=C/C(=O)c2cccs2)c([N+](=O)[O-])c1	5332850	LUJUGUGTJLDHFK-BQYQJAHWSA-N	318.354	3.864	30	50	DHEA	
C=CCCC(=O)N[C@H]1CCCc2c1cnn2-c1cc(C)cc(C)c1	15067267	VTNOQBVPEFJIRX-SFHVURJKSA-N	323.440	3.949	30	50	DHEA	
C[C@](F)(CC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	43206465	IMVOYHXEOPUATI-JTQLQIEISA-N	317.204	3.784	30	50	DHEA	
CC[N@@+](C)(CC#C[C@](O)(c1ccccc1)C1CCCC1)C(C)C	239347230	MMJITLAKONISGX-VXKWHMMOSA-N	314.493	3.943	30	50	DHEA	
C[C@H](/N=C(/O)C(F)F)c1nc(-c2ccc(C#N)cc2)cs1	328587348	GAVVKVJJNCVHJP-QMMMGPOBSA-N	307.325	3.964	30	50	DHEA	
Cc1nc(C(O)=Nc2cc(Cl)cnc2OC(C)C)c(C)o1	328597275	GLXDTJDCFDAHRW-UHFFFAOYSA-N	309.753	3.763	30	50	DHEA	
Cc1ccc(/C=N/c2ccc(I)cc2)o1	47487	ZIJHUTLPEXVRLA-RIYZIHGNSA-N	311.122	3.943	30	50	DHEA	
C#CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1	6743283	HTCGAABTISTTOZ-UHFFFAOYSA-N	315.756	3.613	30	50	DHEA	
FC(F)(F)c1ccc(C#CCN2CCO[C@H]3CCCC[C@H]32)cc1	230163495	PHAJKJHVDFNHMX-SJORKVTESA-N	323.358	3.700	30	50	DHEA	
Sc1nnc(-c2ccccc2)n1N=Cc1ccccc1Cl	239235426	VXXVXKRZFRXARN-UHFFFAOYSA-N	314.801	3.769	30	50	DHEA	
COC(=O)C[C@H](C)c1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1	239782390	COBZNLQEEPPFOA-ZQIUZPCESA-N	300.402	3.847	30	50	DHEA	
CC(C)(O)C#Cc1ccc(CN2CC[C@H]2c2ccc(F)cc2)cc1	826585001	NFVSWUAZOBZEEY-FQEVSTJZSA-N	323.411	3.895	30	50	DHEA	
CC(=O)ON1[C@@H](c2ccccc2)N=C(c2ccccc2)C1(C)C	275567	DOQZPYSEPBIHSG-SFHVURJKSA-N	308.381	3.747	30	50	DHEA	
O=C1C[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	439475	VZJKCTRPMRVUEA-SJORKVTESA-N	317.388	3.691	30	50	DHEA	
N#C[C@@H]1C[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]12	4566202	SQQCPUXEABHILA-UHOSZYNNSA-N	300.361	3.809	30	50	DHEA	
C#Cc1cccc(NCc2cn(-c3ccc(Cl)cc3)nn2)c1	119340007	GLJAIRYKHQWBEL-UHFFFAOYSA-N	308.772	3.514	30	50	DHEA	
N#C[C@@H]1CCC[C@@H]1OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	253426228	YPDSHJNZCBDRLA-UGSOOPFHSA-N	308.381	3.896	30	50	DHEA	
CC(C)c1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1	72902	BGKOUGDGYUIOHH-LTGZKZEYSA-N	307.441	3.966	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)ccn2)cc1	1875329255	MWJZQLLFVRTWSR-QGZVFWFLSA-N	310.784	3.694	30	50	DHEA	
C#CCOC(=O)c1ccccc1C(=O)NCCCCCCCC	3127772	MQTUWOFPAHLUFF-UHFFFAOYSA-N	315.413	3.567	30	50	DHEA	
C=C(C)COc1ccc(C(=O)N[C@H](C)c2ccc(C)cn2)cc1	55225623	DDIMMZGBFWBGPV-OAHLLOKOSA-N	310.397	3.836	30	50	DHEA	
CC(C)(C)OC(=O)N1CCC(C#N)(Cc2ccc(F)cc2)CC1	98086113	LKIRYAYVQPULQI-UHFFFAOYSA-N	318.392	3.909	30	50	DHEA	
COc1cccc2c(NC(=O)c3cc(C#N)oc3C)c(C)cnc12	252509792	YVUYTHYNCIEZEQ-UHFFFAOYSA-N	321.336	3.577	30	50	DHEA	
Cc1nc2c(s1)CCC[C@H]2C/N=C(/O)c1scnc1C	328626906	MEEDSJCEEAQTGI-JTQLQIEISA-N	307.444	3.641	30	50	DHEA	
CCc1nc([C@H](C)/N=C(/O)NC2CCC(F)(F)CC2)cs1	330517498	FJYACNSIFHLKNB-VIFPVBQESA-N	317.405	3.848	30	50	DHEA	
Cc1ccc(S(=O)(=O)O[C@@H](C)[C@H](C)c2ccccc2)cc1	4533247	XUZPCBIKUJUCJI-GJZGRUSLSA-N	304.411	3.893	30	50	DHEA	
CC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)CC1	169983097	FUEVBSUAXZQOGV-UHFFFAOYSA-N	323.242	3.575	30	50	DHEA	
N#CCc1c(Br)cc(F)c(F)c1Br	263623271	GCQKWUMOHBNBIW-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
CN1Cc2cc(OCc3ccccc3C(C)(C)C#N)ccc2C1=O	350148403	RDAWTJHVYTWUQY-UHFFFAOYSA-N	320.392	3.652	30	50	DHEA	
C#Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccc(OCC)cc2)c1	1857778328	ZFMNXLBTIIWMPR-HNNXBMFYSA-N	307.393	3.866	30	50	DHEA	
C=CCOc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1	4841783	MCWHBJSZRWOJQK-UHFFFAOYSA-N	323.308	3.877	30	50	DHEA	
Cn1/c(=N\N=Cc2ccc3c(c2)CCC3)sc2ccccc21	257346498	LUCPUXZAKYQKEK-NQNJEXPGSA-N	307.422	3.663	30	50	DHEA	
C=C(C)COc1ccc(C(=O)N(CC)Cc2ccncc2)cc1	55167183	PXKHIFVOZCLSRF-UHFFFAOYSA-N	310.397	3.699	30	50	DHEA	
O=C1/C(=C\c2cccc3ccccc23)CCc2[nH]c(=O)ccc21	178330645	PRUBSPGPWISKEN-QINSGFPZSA-N	301.345	3.741	30	50	DHEA	
CNc1ccc(C#N)cc1NC(=O)c1scc(C)c1Cl	242273607	YEJUGCSIXJHIEG-UHFFFAOYSA-N	305.790	3.876	30	50	DHEA	
Cc1ccc(F)c(N=C(O)C2CCN([C@H]3CCSC3)CC2)c1	328592663	YHHLVQOUODPPAU-AWEZNQCLSA-N	322.449	3.940	30	50	DHEA	
C[C@@]1(C#N)CCCN(Cc2ccc(C(F)(F)F)cc2F)C1	826679673	NSSMTNGRPCSSBH-AWEZNQCLSA-N	300.299	3.970	30	50	DHEA	
Oc1c(Br)cc(Cl)cc1/C=N/c1ccccn1	271888	FSCSGUHVFFZWJZ-FRKPEAEDSA-N	311.566	3.954	30	50	DHEA	
O=C1Oc2ccccc2C(=O)/C1=C/c1cccc2ccc(O)cc12	440626	PIZOQVFXAFVKNL-YVLHZVERSA-N	316.312	3.731	30	50	DHEA	
COC(=O)[C@@H]1/C(=C/c2ccc(C)c(C)c2)C(=O)c2ccccc21	170601418	LTWMMKZFHNTSDK-PNDHZVEESA-N	306.361	3.840	30	50	DHEA	
CCc1cc(C#N)c(NC(=O)[C@H](OC)c2ccccc2)s1	183072277	WPIBFKHXJMCMEO-CQSZACIVSA-N	300.383	3.508	30	50	DHEA	
CC(C)=C1Oc2c(ccc3c2[C@H](c2ccc(C)o2)CC(=O)O3)C1=O	217778013	QWEJPZAVLHRUKO-LBPRGKRZSA-N	324.332	3.898	30	50	DHEA	biogenic
COc1cccc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)c1	1252211	DFBVMZYDXSFUIN-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
CCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C#N)cc1	2858234	HMHXZQKGUJZFAA-UHFFFAOYSA-N	321.380	3.939	30	50	DHEA	
C=C(C)COc1ccccc1NC(=O)COc1ccc(C)cc1	9822482	JLAXERKUAKZTPC-UHFFFAOYSA-N	311.381	3.967	30	50	DHEA	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)C[n+]1cccc3ccccc31)C2	197970788	LCEPHTAMDNHLQC-MDKPJZGXSA-N	324.444	3.885	30	50	DHEA	
O=C1C[C@@H](c2ccco2)CC(O)=C1c1cc(=O)c2ccccc2[nH]1	334157668	RVSNXALSQASAEP-NSHDSACASA-N	321.332	3.537	30	50	DHEA	
Cc1nc(C#N)c(NCCCCCCCCCCC(=O)O)o1	334162863	SQEVQFONMUVBRK-UHFFFAOYSA-N	307.394	3.862	30	50	DHEA	
COc1cccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c1OC	5128187	SLXURXWJGMKJLK-DHZHZOJOSA-N	313.309	3.508	30	50	DHEA	
Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc(F)c2)c1	5981739	QLUDEDWKMBYFDR-VCHYOVAHSA-N	312.373	3.937	30	50	DHEA	
Cc1ccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c(F)c1	98178493	NGAMWHLFIWBSHL-UHFFFAOYSA-N	318.392	3.926	30	50	DHEA	
Cc1cc(C)c2cc(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)[nH]c2c1	170629578	GQKBMXOQOGBCSI-HXPMCKFVSA-N	309.413	3.987	30	50	DHEA	
COc1cc(C#N)ccc1OC[C@@H]1CCCN(CC=C(C)C)C1	1875245577	GLKNAUOOLPIRDU-QGZVFWFLSA-N	314.429	3.624	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C	242688146	VGJUOWGYQZYCII-CZUPSRJTSA-N	314.469	3.674	30	50	DHEA	
CC1(C)C[C@H](NC(=O)c2ccc(CC#N)cc2)c2ccccc21	332235567	GJVZGZREPFCHKG-SFHVURJKSA-N	304.393	3.905	30	50	DHEA	
N#CCC(=O)Nc1cc(F)ccc1Nc1ccc(F)cc1F	357645303	NWIWDCFIRMWKCG-UHFFFAOYSA-N	305.259	3.700	30	50	DHEA	
O=C1C[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1	612676	LPIZHMMILXMXQI-JTQLQIEISA-N	310.180	3.604	30	50	DHEA	
CC1(C)OB(c2cccc(C(C)(C)C(F)(F)F)c2)OC1(C)C	1775956709	OFKFMTPMHNYTFQ-UHFFFAOYSA-N	314.156	3.826	30	50	DHEA	
Cc1ccc(CN2CCN(/N=C/c3cccs3)CC2)c(C)c1	19849406	MLYWIJXPASTKBO-CPNJWEJPSA-N	313.470	3.517	30	50	DHEA	
N#Cc1ccc(NCc2ccccc2CN2CCCCC2)nc1	170621688	CSXRHOMCEYKMSN-UHFFFAOYSA-N	306.413	3.551	30	50	DHEA	
Cc1cc(CN)cc(N=C(O)[C@@H]2C[C@]23CCOc2ccccc23)c1	328599397	RLUQHTKQXLJROY-PXNSSMCTSA-N	322.408	3.782	30	50	DHEA	
C=CC[C@H](C(=O)N1CC[C@@H](c2ccccn2)C1)c1ccccc1	798717349	ZPUSULHPTCYNOG-MSOLQXFVSA-N	306.409	3.757	30	50	DHEA	
O=C1c2ccccc2C(=O)N1/N=C/c1cccc(Cl)c1Cl	65423	WAZJMDKNIZEJEY-QGMBQPNBSA-N	319.147	3.624	30	50	DHEA	
N/C(=N\OC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1	5051266	ZZFRVSWKABBLPL-UHFFFAOYSA-N	324.167	3.862	30	50	DHEA	
O=[N+]([O-])c1ccc(/C=N/c2ccccc2S)c([N+](=O)[O-])c1	25668098	UACCXDXHZUJDSI-RIYZIHGNSA-N	303.299	3.542	30	50	DHEA	
CC(C)n1cc(C/N=C(/O)c2csc3ccccc23)nn1	328592198	MDZUVJUVDYYMSX-UHFFFAOYSA-N	300.387	3.579	30	50	DHEA	
CC1([C@](O)(C#CCN2CCCCC2)c2ccccc2)CCCC1	1000137	TZMWHPKPISYJCM-NRFANRHFSA-N	311.469	3.944	30	50	DHEA	
C[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C/C1=N\N	12880620	WYIOTJMJDQSAEQ-HNKMZMMDSA-N	318.505	3.951	30	50	DHEA	
C=CCOc1ccccc1OCCCCN1C[C@H](C)O[C@H](C)C1	16489377	XNCYFUOYDVEMBK-CALCHBBNSA-N	319.445	3.520	30	50	DHEA	
O=C1COc2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2N1	5335705	AZBIDVJXCPZEKY-XVNBXDOJSA-N	313.740	3.567	30	50	DHEA	
CC(C)O/C(O)=N/c1ccc2nc(-c3cscn3)[nH]c2c1	5424098	QZWHWHNCPFEXLL-UHFFFAOYSA-N	302.359	3.657	30	50	DHEA	in-man
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](F)C[C@@]43C)[C@@H]1CC[C@@H]2O	30729145	QRNFMYYNRYGOQD-JIEICEMKSA-N	306.421	3.827	30	50	DHEA	in-vitro
CCc1ncsc1/C(O)=N/C[C@@H]1CCCc2sc(C)nc21	328622601	INOHIBPGOHUSFD-JTQLQIEISA-N	321.471	3.895	30	50	DHEA	
CCSC1=N/C(=C\c2ccc(OC(=O)CC)cc2)C(=O)S1	466959	GEXILSXFGQHXMR-XFXZXTDPSA-N	321.423	3.725	30	50	DHEA	
C=CCc1cc(C)ccc1OCCCN1C[C@H](C)O[C@H](C)C1	16247423	IJMONJPOIKUJHI-CALCHBBNSA-N	303.446	3.602	30	50	DHEA	
CC(C)(C)OC(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1	199600892	RJANMUJZJKCWID-UHFFFAOYSA-N	323.242	3.575	30	50	DHEA	in-vitro
COc1cccc(C(=O)/C=C2/Sc3ccccc3NC2=O)c1	334163300	NSZAOIRESCPYOC-MHWRWJLKSA-N	311.362	3.506	30	50	DHEA	
N#C[C@H]1CCC[C@H](CC(=O)N2CCSC23CCCCC3)C1	2325773471	FPRMGKIBCRMYOG-GJZGRUSLSA-N	306.475	3.942	30	50	DHEA	
C=CCc1cc(C)ccc1C[C@@H](O)Cn1c(C)nc2ccccc21	72760	LSMVFKXHKZIEER-LJQANCHMSA-N	320.436	3.985	30	50	DHEA	
COc1cc(OC)c(C(=O)/C=C/c2ccc(F)cc2)c(OC)c1	4100774	NERHFTSAOXRYQV-RMKNXTFCSA-N	316.328	3.748	30	50	DHEA	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CCC(=O)O2	105009339	CNIXJDVUMXTEKX-SGFSRKTBSA-N	302.414	3.814	30	50	DHEA	
C=CCc1cccc2cc(C(=O)Nc3ccccc3F)c(=O)oc12	197382	VVOTYCNTYUUMJI-UHFFFAOYSA-N	323.323	3.913	30	50	DHEA	
Cc1cccc(OC2CCN(C(=O)c3cccc(C#N)c3)CC2)c1	77487931	HIFZEOPSLGJYAQ-UHFFFAOYSA-N	320.392	3.550	30	50	DHEA	
C[C@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@H](c2ccsc2)O1	156416166	OFZLFSSGSPASBO-DZGCQCFKSA-N	318.442	3.511	30	50	DHEA	
O=C(/C=C/c1ccccn1)c1ccc(NC(=O)c2ccco2)cc1	4663163	KDINYBFKOSUSOS-ZHACJKMWSA-N	318.332	3.823	30	50	DHEA	
O=C(C[n+]1ccc2ccccc2c1)Nc1ccc(F)c(Cl)c1	7714886	LQIYEPZUKXCTFR-UHFFFAOYSA-O	315.755	3.559	30	50	DHEA	
C[C@@H]1C/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2=C1CCC2	43762018	BKUVJDVVMMOMQC-NDRUXHAASA-N	316.317	3.791	30	50	DHEA	
Cc1cccc([C@@H](Nc2ccc(C#N)nc2)c2ccccn2)c1	253418816	VVEKANQICIHRFK-LJQANCHMSA-N	300.365	3.858	30	50	DHEA	
Cc1ncsc1/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1	328615406	YDJPXBINNAGSOU-ZIAGYGMSSA-N	302.399	3.534	30	50	DHEA	
N#Cc1ccc2c(n1)CCC[C@@H]2NCCc1ccc2occc2c1	2325807375	VPQZMVICTLQZBQ-SFHVURJKSA-N	317.392	3.909	30	50	DHEA	
Cc1c(C#N)c2ccc(O)c(CN(C)C)c2n1-c1ccccc1	977859	NCBBEMXMKLBYGQ-UHFFFAOYSA-N	305.381	3.578	30	50	DHEA	
C[C@@](F)(CC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	43206464	IMVOYHXEOPUATI-SNVBAGLBSA-N	317.204	3.784	30	50	DHEA	
C[C@H](C(=O)N[C@](C)(C#N)CCc1ccccc1)c1cccs1	159633927	HXCSUPGKWKBOAG-KSSFIOAISA-N	312.438	3.883	30	50	DHEA	
CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1Cl	169794081	LAEHODITYKHIBE-UHFFFAOYSA-N	308.885	3.949	30	50	DHEA	in-vitro
N#C[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C1	218152844	MVUGRGCDPBCFLZ-ZDUSSCGKSA-N	302.805	3.524	30	50	DHEA	
C=CCSc1nc2sc3c(c2c(=O)n1CC)CCCC3	2197174	BGDUUFUORZMMEN-UHFFFAOYSA-N	306.456	3.635	30	50	DHEA	
C=CCC(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1	12073976	YWKHGFIUSZWWTR-GOSISDBHSA-N	307.393	3.837	30	50	DHEA	
CC(C)(C)OC(=O)N1CCCC=C1B1OC(C)(C)C(C)(C)O1	169833125	LEQQJEMLERIVAW-UHFFFAOYSA-N	309.215	3.533	30	50	DHEA	in-vitro
O=C1C(=C2NCCN2)CCC/C1=C\c1ccc(Cl)cc1Cl	198449127	QWVRYQZHCQZFEI-DHZHZOJOSA-N	323.223	3.534	30	50	DHEA	
C#CCCC1(CCNC(=O)CC23CCC(CC2)C3(C)C)N=N1	2325891407	DZEWAEAVPKXRJT-UHFFFAOYSA-N	301.434	3.675	30	50	DHEA	
O=C1C[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	439473	VZJKCTRPMRVUEA-IAGOWNOFSA-N	317.388	3.691	30	50	DHEA	
C=CC/N=C(\S)Nc1sc2c(c1C(=O)OCC)CCCC2	1573394	CMYVDTORUPYYEG-UHFFFAOYSA-N	324.471	3.687	30	50	DHEA	biogenic
CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(CC#N)cc1	8498377	KBNVGSZXJGDRHL-MRXNPFEDSA-N	312.344	3.688	30	50	DHEA	
CC[C@H]1CCc2c(sc(NC(=O)c3cc(C)on3)c2C#N)C1	13327311	PNKFIZHTBKFPOA-JTQLQIEISA-N	315.398	3.683	30	50	DHEA	
Cc1cc(NC(=O)[C@@H](c2ccc(C#N)cc2)C(C)C)cnc1C	1875328903	QWVPEQFKULUOPI-GOSISDBHSA-N	307.397	3.948	30	50	DHEA	
CN1CCN(/N=C/c2c3ccccc3cc3ccccc23)CC1	5033971	AOLSHLOOPLHLOR-RCCKNPSSSA-N	303.409	3.574	30	50	DHEA	
CCCNc1nc(-c2ccccc2)c(C(=O)OCC)cc1C#N	20365466	JTVROUJNGJVMLQ-UHFFFAOYSA-N	309.369	3.619	30	50	DHEA	
CCCC(C#N)(CCC)NC(=O)c1cccc(Cl)c1[N+](=O)[O-]	121482109	MLIRHAZYKYGNEP-UHFFFAOYSA-N	323.780	3.841	30	50	DHEA	
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cc(C#N)cs1	177047117	BICVXIDCRCWCAF-SECBINFHSA-N	304.337	3.669	30	50	DHEA	
Cc1ccc2c(c1)NC(=O)/C(=C/C(=O)c1cc(C)ccc1C)N2	670416557	IDZGVDPPXPDZBO-YVLHZVERSA-N	306.365	3.743	30	50	DHEA	
C=CCC[C@H](CN1CCCC1)Oc1ccc(C(F)(F)F)cn1	67739584	XJPKJGOVXXZDEM-CQSZACIVSA-N	314.351	3.910	30	50	DHEA	
FC(F)(F)C1(C(F)(F)F)O[C@@](F)(Cl)[C@](F)(Cl)O1	95810998	PQTSJAIWJYMBOX-PWNYCUMCSA-N	314.943	3.578	30	50	DHEA	in-vitro
C/C(=N\N=C\C=C\c1ccccc1)C1C(=O)c2ccccc2C1=O	100659281	BQAIJLAWMJPFHB-RTOKPHNGSA-N	316.360	3.842	30	50	DHEA	
CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1	4488886	DXIGNFGLBISUKP-CYBMUJFWSA-N	315.438	3.655	30	50	DHEA	
CCN(CC)CC#CCC1(O)c2ccccc2Oc2ccccc21	4844934	IOJYRYFSGLLQJQ-UHFFFAOYSA-N	321.420	3.764	30	50	DHEA	
Cc1c(NCc2cc(C#N)ccc2F)cnn1-c1ccccc1	225389453	FCXLXCDXSRGSGG-UHFFFAOYSA-N	306.344	3.804	30	50	DHEA	
C[C@H]1[C@H]2C[C@@H](CC(C)(C)C2)N1CC(=O)[C@H](C#N)c1ccccc1	239347270	MPCQATJIMCXBFJ-LEUOFYLZSA-N	310.441	3.762	30	50	DHEA	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](B1OC(C)(C)C(C)(C)O1)C2	950757506	LNPLYXHKIVTDJN-XQQFMLRXSA-N	323.242	3.621	30	50	DHEA	
C=CCCC[C@H](NCCc1c(C)noc1C)[C@]1(C)CCCO1	1616041347	OTYSXHGDEBOFJB-ROUUACIJSA-N	306.450	3.718	30	50	DHEA	
Cc1cc(Nc2c(C)n[nH]c2C)n2c(nc3ccccc32)c1C#N	787947	VNEPFPCOFWXJMH-UHFFFAOYSA-N	316.368	3.751	30	50	DHEA	
CCN(CC)CC#CC(OC)(c1ccccc1)c1ccccc1	2317251	NJNAIDUQVFTTBZ-UHFFFAOYSA-N	307.437	3.922	30	50	DHEA	
Cc1ccc(CSc2nc3c(cc2C#N)CN(C)CC3)cc1	20661007	NOERRPJOITYEDQ-UHFFFAOYSA-N	309.438	3.542	30	50	DHEA	
C=CCn1cc(CNCc2c(F)ccc(Cl)c2F)c(C)n1	55281279	ROKKNCCORPWXMY-UHFFFAOYSA-N	311.763	3.599	30	50	DHEA	
C[C@H](NC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccc(C#N)cc1	266562640	NSKIBFBWQRTWHT-JBYOLUDKSA-N	316.404	3.640	30	50	DHEA	
COC(=O)c1cc2ccc(OCc3ccc(C#N)cc3)cc2o1	478830574	PYJFPLYXXWEMFG-UHFFFAOYSA-N	307.305	3.670	30	50	DHEA	
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O	5423	BQSJTQLCZDPROO-UHFFFAOYSA-N	316.382	3.723	30	50	DHEA	biogenic,fda
N#Cc1cnn2c1N[C@H](c1ccc(Cl)cc1)C[C@H]2C(F)F	2783497	ZQODBIGFZWPWRS-RYUDHWBXSA-N	308.719	3.771	30	50	DHEA	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1CO	191418106	GFQMFTYTNNNDAN-HNNXBMFYSA-N	302.418	3.527	30	50	DHEA	
CC1(C)OB(c2ccc([C@@H](F)C(F)(F)F)cc2)OC1(C)C	757175812	YRNYXTQJAFLLSD-LLVKDONJSA-N	304.092	3.559	30	50	DHEA	
C=C[C@]1(C)C[C@H]2[C@H](OCc3ccc(OC)cc3)CC[C@H]2C1=O	71786792	BWKCRYPLIQJSDX-YWTNHNAXSA-N	300.398	3.772	30	50	DHEA	
N#Cc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1	334161107	TYJZKOQHIIXCSC-INIZCTEOSA-N	314.797	3.990	30	50	DHEA	
CCOc1ccc(-c2c[nH]c(-c3ccc(C#CCO)s3)n2)cc1	65405293	QIKHBKAWDOLTQB-UHFFFAOYSA-N	324.405	3.548	30	50	DHEA	
COc1ccccc1/N=C/c1cc(Br)ccc1O	85658429	TTYQJLGIMRFFOA-CXUHLZMHSA-N	306.159	3.914	30	50	DHEA	
CCCOc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1	2219787	VLVSTHDNCRVLQC-HEHNFIMWSA-N	323.440	3.632	30	50	DHEA	
CCN(CC)CCOc1ccccc1/C=C\C(=O)c1ccncc1	4566935	OKYYGGTXZDRQIJ-KTKRTIGZSA-N	324.424	3.698	30	50	DHEA	
CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ccncc2C#N)cc1	253392477	BEBDXCHNIDNAIO-ZDUSSCGKSA-N	321.380	3.534	30	50	DHEA	
Cc1ccc(-c2n[nH]c(C)c2-c2cc(C#N)c(C#N)cc2O)cc1	253471624	WEQHTJVPDRYNFZ-UHFFFAOYSA-N	314.348	3.810	30	50	DHEA	
CCC(CC)n1ncc(C(=O)Nc2ccccc2CC#N)c1C	408517406	HRFCUYRBNCYCIS-UHFFFAOYSA-N	310.401	3.871	30	50	DHEA	
CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc(F)c1	2060946	MDEWMRJTOZGEFC-INIZCTEOSA-N	319.376	3.690	30	50	DHEA	
CCOc1ccccc1CN(CC)C(=O)c1cccc(C#N)c1	55270508	PHLZMSAWYZKSMA-UHFFFAOYSA-N	308.381	3.619	30	50	DHEA	
Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccccc1Cl	71775860	HFTXLTNYICKZNS-UHFFFAOYSA-N	323.787	3.565	30	50	DHEA	
Cc1[nH]nc(-c2ccccc2)c1-c1cc(C#N)c(C#N)cc1O	253471553	VBAHPXGPGYFSHF-UHFFFAOYSA-N	300.321	3.501	30	50	DHEA	
CCN(C(=O)c1ccccc1)[C@H](C)C/N=C(/O)c1ccccc1	328596802	ADGRHPFJNYKESH-OAHLLOKOSA-N	310.397	3.542	30	50	DHEA	
Cc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1/C(O)=N/Cc1ccccn1	328605791	PDVTUXMUMBWFMQ-PXNSSMCTSA-N	322.408	3.895	30	50	DHEA	
C[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C	725343370	MZSYKURYVHHEFH-LBPRGKRZSA-N	323.242	3.574	30	50	DHEA	
CN1CCCC[C@@]1(C)C#CC(O)(c1ccccc1)c1ccccc1	1217260	RAKUXMKMNIXLSC-NRFANRHFSA-N	319.448	3.800	30	50	DHEA	
Cc1ccc(S(=O)(=O)O[C@@H](C)c2nc3ccccc3o2)cc1	3130405	SOAGIQPQAMJVHP-LBPRGKRZSA-N	317.366	3.603	30	50	DHEA	
C=CCn1c(/N=C(\O)CC)c(C(=O)OCC)sc1=S	3207352	AMOPNKGGBHSYQV-UHFFFAOYSA-N	300.405	3.640	30	50	DHEA	
Cc1ncc(CN(C)C(O)=Nc2ncc(C(C)(C)C)s2)s1	331252852	QTMOXPHIADWILL-UHFFFAOYSA-N	324.475	3.883	30	50	DHEA	
O/C(=N/[C@H]1CCOc2c(Br)cccc21)c1ccoc1	328586663	VAOVXYWLJAUIOM-LBPRGKRZSA-N	322.158	3.871	30	50	DHEA	
CC[C@H](Cc1ccc(F)cc1)NC(=O)[C@@]1(C#N)CC12CCCC2	597886630	PDCNBUWCCPNLMU-APWZRJJASA-N	314.404	3.737	30	50	DHEA	
N#Cc1ccc(-c2ccc(F)cc2)n(Cc2ccc(F)cc2)c1=O	3125670	RYXTYLQTCGKOCI-UHFFFAOYSA-N	322.314	3.713	30	50	DHEA	
Cc1nc2c(s1)CCC[C@H]2C/N=C(/O)c1csnc1C	328627384	MTPBDGKAQIUGBT-JTQLQIEISA-N	307.444	3.641	30	50	DHEA	
Cc1c(Cl)cccc1NC(=O)COc1ccc(C#N)cc1	4841110	MQJBCKDNEVZVLT-UHFFFAOYSA-N	300.745	3.538	30	50	DHEA	
C#Cc1cccc(C(=O)N2CCC[C@H](Nc3cccc(F)c3)C2)c1	15068878	KMAXHEMHAUVWDK-IBGZPJMESA-N	322.383	3.524	30	50	DHEA	
C=CCn1cc(CN(C)Cc2cccc3cccnc23)c(C)n1	55403293	ARQUZGWTQONSGN-UHFFFAOYSA-N	306.413	3.558	30	50	DHEA	
C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccccc1Cl	110011700	PKHSHLYXGHOVHS-SFHVURJKSA-N	312.800	3.985	30	50	DHEA	
Cc1ccc([C@@H]2C[C@H]2C(=O)[C@H](C#N)C(=O)c2ccccc2)s1	247824069	IDJNJEROSUXVJU-RBSFLKMASA-N	309.390	3.752	30	50	DHEA	
CC(C)(C)O/C(O)=N/Cc1ccccc1OC(=O)C1CCC1	328596666	NOJPYBVXUULFOA-UHFFFAOYSA-N	305.374	3.621	30	50	DHEA	
O/C(=N/CC1(c2ccccn2)CCC1)N[C@H]1CC12CCCCC2	329298399	UJEDNNQGVWSESV-INIZCTEOSA-N	313.445	3.730	30	50	DHEA	
C[C@H](CC#N)NC(=O)Nc1cccc(C2SCCS2)c1	154291294	BEMUFTDPORBAPZ-SNVBAGLBSA-N	307.444	3.589	30	50	DHEA	
N#C[C@@H]1C[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]12	216174113	SQQCPUXEABHILA-QXAKKESOSA-N	300.361	3.809	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2cccc3c2OC(C)(C)C3)N=N1	952880808	IOANZXDBOMCUJY-UHFFFAOYSA-N	311.385	3.694	30	50	DHEA	
C=C(C)COc1cccc(NC(=O)NCC(F)(F)C(F)F)c1	170617002	OSNHEUVKEJVGNE-UHFFFAOYSA-N	320.286	3.663	30	50	DHEA	
CC1(C)Cc2ccccc2/C(=C/C(=O)c2ccccc2[N+](=O)[O-])N1	178862	WDNDYQVSXPTYCM-WJDWOHSUSA-N	322.364	3.743	30	50	DHEA	
C=CCN(Cc1ccco1)Cc1c(C(=O)O)[nH]c2ccc(C)cc12	55211987	KRTFADQPYCRUSU-UHFFFAOYSA-N	324.380	3.956	30	50	DHEA	
CC1(C)OB(c2ccc(-c3nc4ccccc4o3)cc2)OC1(C)C	170027671	BAEPPSMSKKCZGG-UHFFFAOYSA-N	321.185	3.794	30	50	DHEA	
CCCN(CCC)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1	216631928	MXESWGPVUNLWEC-UHFFFAOYSA-N	317.282	3.608	30	50	DHEA	in-vitro
Cc1cc(C)cc(-n2c(N)c(C#N)c3nc4ccccc4nc32)c1	143631	GURFPKMGNSYEPR-UHFFFAOYSA-N	313.364	3.644	30	50	DHEA	
CCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1	2770946	RQQDWMLGAMMXFB-KBPBESRZSA-N	320.318	3.977	30	50	DHEA	
COc1ccc(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1	214108220	QFRIXBSWUHSRMS-UHFFFAOYSA-N	324.229	3.585	30	50	DHEA	in-vitro
CC1(C#N)CCN(Cc2cccc(F)c2C(F)(F)F)CC1	670443539	KDDGKPRAXPXJAV-UHFFFAOYSA-N	300.299	3.970	30	50	DHEA	
CC1(C)OB(c2ccc(Cl)c(C(F)(F)F)c2)OC1(C)C	169807594	VBNMWVUQPRYIIM-UHFFFAOYSA-N	306.520	3.658	30	50	DHEA	in-vitro
N#CCCN(CCC#N)C(=O)c1ccc(-c2ccccc2)cc1	2857456	YZFAGURRSULOED-UHFFFAOYSA-N	303.365	3.623	30	50	DHEA	
C#Cc1cncc(NC(=O)C[C@H](C)c2c[nH]c3ccccc23)c1	1875316421	PQLVXBGPZCXKQL-ZDUSSCGKSA-N	303.365	3.677	30	50	DHEA	
[N-]=[N+]=Nc1ccc(OCCCCCC[C@@]2(C(=O)O)CO2)cc1	1875387428	IFTRQDZEQTULOA-HNNXBMFYSA-N	305.334	3.811	30	50	DHEA	
FC(F)(F)c1ccc(OC(C(F)(F)F)C(F)(F)F)cn1	169725758	FWAOISIJVKFFSL-UHFFFAOYSA-N	313.119	3.972	30	50	DHEA	
C#CCCC1(CCC(=O)N[C@H](C)c2cc3ccccc3o2)N=N1	952881754	PYGNAGUVRYYJTE-CYBMUJFWSA-N	309.369	3.966	30	50	DHEA	
C=CCn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21	299784	BGWKLSHFFJVATA-HNNXBMFYSA-N	317.392	3.743	30	50	DHEA	
CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(CC#N)cc1	16576835	LSMOMIDJDDSZPP-MRXNPFEDSA-N	324.380	3.557	30	50	DHEA	
C=C[C@]1(C)C[C@@H](O)[C@@]2(C)[C@H](C)CC[C@@]3(CCC(=O)[C@@H]23)[C@@H](C)C1=O	101144010	YHTMMGCWQFVLTN-UBSOLABDSA-N	318.457	3.550	30	50	DHEA	
C=CCc1cc(CN2C[C@H]3CC[C@H]2C3)cc(OC)c1OCC	820505594	GFAOWUWEDFHKAA-YOEHRIQHSA-N	301.430	3.807	30	50	DHEA	
C=CCSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1	2230308	AJJVQQOKQQRXKA-UHFFFAOYSA-N	308.406	3.972	30	50	DHEA	
C=CCOc1ccc(NC(=O)c2ccc(Br)o2)cc1	6743372	QSEAJWMQHWGGNC-UHFFFAOYSA-N	322.158	3.859	30	50	DHEA	
CC(=O)Nc1ccc(C)cc1NCc1cn2ccccc2c1C#N	193447394	AAOXNCIUTMEACO-UHFFFAOYSA-N	318.380	3.690	30	50	DHEA	
N#Cc1ccccc1/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1	328616009	ZMCGGJMSUOYWBY-SJLPKXTDSA-N	306.365	3.641	30	50	DHEA	
COc1ccccc1/C=N/Nc1cc(-c2ccccc2)nc(C)n1	4595528	PIFFYKJXARZYIB-DEDYPNTBSA-N	318.380	3.907	30	50	DHEA	
CC#CCN(Cc1ccco1)C(=O)c1cc(-c2ccccc2)on1	65419629	RLZHDWRIGDYNTE-UHFFFAOYSA-N	320.348	3.600	30	50	DHEA	
C/C(O)=N/[C@@H](c1nc(C2CCCCC2)no1)C1CCOCC1	328626124	LJPVDZXBXRJEOK-CQSZACIVSA-N	307.394	3.561	30	50	DHEA	
N#CCC1(CN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1	1857530613	OSDZRNXPNUMGGF-LSDHHAIUSA-N	308.784	3.593	30	50	DHEA	
C=CCNCCOCCOc1ccc(Cl)cc1C(C)(C)C	3460888	NRJUQUSGPLPHNI-UHFFFAOYSA-N	311.853	3.809	30	50	DHEA	
O=C(C[n+]1cccc2ccc3cccnc3c21)c1ccc(F)cc1	5571872	BCQWVSKVWCFBBW-UHFFFAOYSA-N	317.343	3.698	30	50	DHEA	
CCC(O)(CC)CNc1cc(C)c(C#N)c2nc3ccccc3n12	170599675	RGIUPOCVRMVZKZ-UHFFFAOYSA-N	322.412	3.631	30	50	DHEA	
Cc1cc(C)c2c(c1)C(=O)/C(=C/c1c[nH]nc1C(C)(C)C)CO2	222139277	MSIOXWPQBZHWET-RIYZIHGNSA-N	310.397	3.983	30	50	DHEA	
N#CCc1cc(F)c(Br)c(Br)c1F	263623411	HESVJRXEIWTKAE-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
Cc1cc(Br)ccc1CN(C)C[C@@H](C#N)CCC#N	390835692	VDYXIEMJQKEVIO-CYBMUJFWSA-N	320.234	3.633	30	50	DHEA	
Cc1c(/N=C/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C	1661633	CUIJFGBJFDLIGS-VUPRMNMUSA-N	317.392	3.900	30	50	DHEA	
C=CCOc1ccc(/C=C2\N=C(SCC)SC2=O)cc1	4755173	FNJNCVUGLLFDPG-RAXLEYEMSA-N	305.424	3.975	30	50	DHEA	
CCCCc1nc(-c2cccc(Oc3cc(C#N)ncn3)c2)no1	408514564	UJGZCBWQBQDSKG-UHFFFAOYSA-N	321.340	3.533	30	50	DHEA	
N#CCc1c[nH]c2cc(-c3ccc([C@@H]4CCC(=O)N4)cc3)ccc12	2325869213	CHVDEGRNHCOJJW-SFHVURJKSA-N	315.376	3.852	30	50	DHEA	
Fc1cccc(Cl)c1/C=N/N1CCN(c2ccccc2)CC1	136406	DUBIUPVDOCJPSK-DEDYPNTBSA-N	317.795	3.635	30	50	DHEA	
COCCSc1ccccc1C(=O)Nc1ccccc1C#N	2865305	CLFYRRLEVMSHTI-UHFFFAOYSA-N	312.394	3.549	30	50	DHEA	
O=C1C[C@H](c2ccccc2O)CC2=C1C=Nc1ccccc1N2	100128962	OAQKKMVKLDGDNM-GFCCVEGCSA-N	304.349	3.921	30	50	DHEA	
N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1	177834706	YZJPCJBLHMEXBV-GOSISDBHSA-N	318.380	3.735	30	50	DHEA	
C[C@H](NC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1ccc(C#N)cc1	266562644	NSKIBFBWQRTWHT-UQIDSAAFSA-N	316.404	3.640	30	50	DHEA	
C=CCOc1cccc(NC(=O)N(C)CC[C@H]2CCCCO2)c1	299803028	UTDWEQSTUITDOX-MRXNPFEDSA-N	318.417	3.674	30	50	DHEA	
CC(C)c1ccccc1N/C(O)=N/Cc1nc2cccnc2[nH]1	328589472	FQVDYZHORGFKCG-UHFFFAOYSA-N	309.373	3.607	30	50	DHEA	
CCCn1c(/C(O)=N/[C@H](CO)C(C)(C)C)cc2ccccc21	328591640	DUCYJCMJJMWPGO-MRXNPFEDSA-N	302.418	3.763	30	50	DHEA	
Cc1sc2ncnc(N/N=C/c3cccc4c[nH]nc34)c2c1C	1875260313	KJYRGXCGCVQXHY-IFRROFPPSA-N	322.397	3.630	30	50	DHEA	
Cc1ccc(S(=O)(=O)NN=C2CCC(C(C)(C)C)CC2)cc1	4800614	QHURMYMCJYDFKY-UHFFFAOYSA-N	322.474	3.866	30	50	DHEA	
CC(C)(C/C(O)=N/C[C@H]1CCCS1(=O)=O)C1CCCCC1	330018377	SQZZZPDZLQQCRB-CQSZACIVSA-N	315.479	3.517	30	50	DHEA	
C=C(C)CN(Cc1ccccc1)C(=O)Cc1c[nH]c2ncccc12	390833708	LTFUMVGHRHWDNP-UHFFFAOYSA-N	319.408	3.710	30	50	DHEA	
N#Cc1cc(C(=O)N[C@@H](CCc2ccccc2)C(F)F)cs1	1329175832	DXMWMZWKMAIBGW-AWEZNQCLSA-N	320.364	3.616	30	50	DHEA	
COc1ccc2c(c1)/C(=N/OC(=O)c1cccs1)CCC2	50513	MZHMVWMBMDXKDS-SAPNQHFASA-N	301.367	3.654	30	50	DHEA	
COC(=O)c1ccc(N/C=C2/CCc3ccccc3C2=O)cc1	446858	MQDIYPPRRGLJOY-QINSGFPZSA-N	307.349	3.598	30	50	DHEA	
C=CCc1ccccc1OC[C@H](O)CNC(C)(C)CC(C)(C)C	2451887	LDLHSWWZEPQHFP-QGZVFWFLSA-N	319.489	3.959	30	50	DHEA	
Cc1sc(NC(=O)[C@H]2CCCO2)c(C#N)c1-c1ccccc1	13328545	NBPDSHFLWNBXLK-CQSZACIVSA-N	312.394	3.713	30	50	DHEA	
N#CCC[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1	167248024	WWLGGWSOLGXIQU-MRXNPFEDSA-N	306.325	3.923	30	50	DHEA	
FC(F)(F)c1cccc(OC(C(F)(F)F)C(F)(F)F)n1	169725731	ZFFDIJXEOZAKDZ-UHFFFAOYSA-N	313.119	3.972	30	50	DHEA	
CC1(C)OB(c2ccc(SC(F)(F)F)cc2)OC1(C)C	169889699	RSMWGZJSATWLMH-UHFFFAOYSA-N	304.142	3.598	30	50	DHEA	
C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)CSCc1ccc(C#N)cc1	247876295	OPTLJXJJLMPRRK-UOIKSKOESA-N	316.470	3.732	30	50	DHEA	
N#Cc1ccc(CN2CCC([C@H](O)c3cccs3)CC2)cc1	1529173524	XVDZAAYKBQPDNU-SFHVURJKSA-N	312.438	3.565	30	50	DHEA	
C=CCc1cc(C)ccc1OC[C@H](O)Cn1cnc2ccccc21	151993	JJMJHCHCCVECEV-QGZVFWFLSA-N	322.408	3.513	30	50	DHEA	
C=CCSC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)S1	3000751	BYEUIMWDHFLFGD-RAXLEYEMSA-N	304.440	3.642	30	50	DHEA	
Cc1ccccc1OCc1ccccc1B1OC(C)(C)C(C)(C)O1	221525645	NNUQUXXUEHVNHH-UHFFFAOYSA-N	324.229	3.873	30	50	DHEA	
Cc1cccc(N=Cc2cc([N+](=O)[O-])c3ccccc3c2O)n1	252680011	UQOBWQJIAKUMEA-UHFFFAOYSA-N	307.309	3.908	30	50	DHEA	
Brc1ccc(N=Cc2ccc3c(c2)OCO3)cc1	254531984	SIWGMOUGLBGTRY-UHFFFAOYSA-N	304.143	3.928	30	50	DHEA	
Cc1cc(C)c(C#N)c([S@@](=O)Cc2ccc(Cl)cc2)n1	74059	WYEQFQISOGUQOM-HXUWFJFHSA-N	304.802	3.531	30	50	DHEA	
Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C#N)c1	143511	PXRGTQDMSXUXLU-UHFFFAOYSA-N	300.745	3.538	30	50	DHEA	
C/C(=N\Nc1nnc(Cl)c2ccccc12)c1ccccc1O	4947484	YYBQXZSTIFGJQW-VCHYOVAHSA-N	312.760	3.825	30	50	DHEA	
COc1cc(N/C(S)=N\Cc2cccs2)cc(OC)c1	8684827	YQERYCUIUFWEQC-UHFFFAOYSA-N	308.428	3.663	30	50	DHEA	
C=CCN(Cc1ccccc1OC)C(=O)c1cc(F)cc(C#N)c1	952960865	FKROPYDNQCZNAZ-UHFFFAOYSA-N	324.355	3.534	30	50	DHEA	
COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC#N	4189234	CGJQVAVZRVZKJZ-BOPFTXTBSA-N	323.373	3.927	30	50	DHEA	
C[C@](O)(C#CCN1CCCC[C@H]1c1cccnc1)c1ccccc1	248319354	QEJMNZRTUNAIPH-SFTDATJTSA-N	320.436	3.520	30	50	DHEA	biogenic
C#CCCC1(CCNC(=O)c2cccc3c2C(C)(C)C(C)=N3)N=N1	2325887325	GUYPCRGFUANTFT-UHFFFAOYSA-N	322.412	3.766	30	50	DHEA	
N#Cc1ccccc1NC(=O)CSc1ccc(Cl)cc1	308591	BRHJHFVQXVMJTK-UHFFFAOYSA-N	302.786	3.942	30	50	DHEA	
CC(=O)C1=C(N2CCCCC2)c2ccc(-c3ccccc3)n2C1=O	1075927	SFEAJWOKHGZGKX-UHFFFAOYSA-N	320.392	3.595	30	50	DHEA	
CCc1c(C)sc(NC(=O)c2cc(CC(C)C)on2)c1C#N	2498112	DZKFUZTUDUNOPO-UHFFFAOYSA-N	317.414	3.929	30	50	DHEA	
C=CCn1c(=S)[nH]c2scc(-c3ccccc3)c2c1=O	4032154	WRHGDDZSSQCHFZ-UHFFFAOYSA-N	300.408	3.974	30	50	DHEA	
COc1cccc(C#N)c1OCc1cccc(Br)c1	4808970	ZHPZJQHHMZSHCQ-UHFFFAOYSA-N	318.170	3.908	30	50	DHEA	
C=CCSc1nnc2c(n1)[nH]c1ccc(Br)cc12	6192756	IYXDTGNZXQFGBM-UHFFFAOYSA-N	321.203	3.547	30	50	DHEA	
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCCC[C@H]1CC(C)=O)C2	199298444	ZCBLIOGLOZJYJE-TXPKVOOTSA-N	303.446	3.729	30	50	DHEA	
Cc1oc(C#N)cc1C(=O)N(Cc1ccsc1)c1cccnc1	252506625	WBSOALUPGIZHAK-UHFFFAOYSA-N	323.377	3.763	30	50	DHEA	
CN(C)Cc1ccc(N=C(O)Cc2cccc(O)c2)cc1Cl	328594666	GHTGZIMGKJLCFY-UHFFFAOYSA-N	318.804	3.938	30	50	DHEA	
O=S(=O)(O[C@H](c1ccccc1)C(F)(F)F)c1ccccc1	2165053	BIQCDOIVHGBFIV-CYBMUJFWSA-N	316.300	3.696	30	50	DHEA	
CCCCCCCCCC(=O)CC(=O)N[C@@H]1CCCCC1=O	72112658	JDVHCWYKJODEND-MRXNPFEDSA-N	309.450	3.714	30	50	DHEA	
CC(O)=Nc1ccn([C@@H]2CCN(C[C@H]3CCCC[C@H]3C)C2)n1	328628995	OIMFXVRWMRDMOP-FVQBIDKESA-N	304.438	3.564	30	50	DHEA	
N#C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccncc2)s1	1875270411	IPNIRUQQIPKROY-UONOGXRCSA-N	311.410	3.622	30	50	DHEA	
O=S(=O)(O[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1	2165051	BIQCDOIVHGBFIV-ZDUSSCGKSA-N	316.300	3.696	30	50	DHEA	
C=CCOc1ccc2c(C)cc(=O)oc2c1C(=O)c1ccccc1	4170597	DWRVVMMRFBCQMQ-UHFFFAOYSA-N	320.344	3.897	30	50	DHEA	
CNc1cc([N+](=O)[O-])ccc1N/C=C/C(=O)c1cccs1	95521274	XXDSUNHJBMHGEY-VOTSOKGWSA-N	303.343	3.507	30	50	DHEA	
N#Cc1cccc(NC(=O)N2CCCC[C@@H]2c2nccs2)c1	176263148	BSWXRROCSZEUIT-CQSZACIVSA-N	312.398	3.774	30	50	DHEA	
C=C[C@H](C)c1noc([C@]2(C)CCCN2C(=O)c2ccccc2)n1	225590973	HRNHSDGGSDSTPE-UGSOOPFHSA-N	311.385	3.511	30	50	DHEA	
Cc1ccc(CSCC(=O)Nc2ccc(CC#N)cc2)cc1	618957	ADZFIDNQQJEZDB-UHFFFAOYSA-N	310.422	3.933	30	50	DHEA	
C=CCOc1c(CNc2ccc(C(=O)O)cc2)cccc1OC	2860692	SKGMDYGVFXGBIS-UHFFFAOYSA-N	313.353	3.570	30	50	DHEA	
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCCC[C@@H]1CC(C)=O)C2	199298455	ZCBLIOGLOZJYJE-FRQCXROJSA-N	303.446	3.729	30	50	DHEA	
Cc1nn(-c2ccccc2)c(C)c1-c1cc(C#N)c(C#N)cc1O	253470835	GVUQOYSQLAXJBE-UHFFFAOYSA-N	314.348	3.605	30	50	DHEA	
N#Cc1c[nH]c(C(=O)N2CCC[C@H]2[C@@H]2CCCc3ccccc32)c1	365784762	GJWVVIPCRCXPQW-MJGOQNOKSA-N	319.408	3.611	30	50	DHEA	
Cn1c(NC(=O)C2CCCCCCC2)nc2c(C#N)cccc21	225607610	RXYUXKNAVZPMGS-UHFFFAOYSA-N	310.401	3.744	30	50	DHEA	
O=C1C(=CNc2ccc(F)c(Cl)c2)C(=O)c2ccccc21	290931	YLGMQHQGGKHQBJ-UHFFFAOYSA-N	301.704	3.854	30	50	DHEA	
Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccccc1)CCCC3	1465841	LMFCLRDITZXALT-YBFXNURJSA-N	323.421	3.527	30	50	DHEA	
C=CCOc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1	4841470	YZMFKXMFIFIKHU-UHFFFAOYSA-N	323.308	3.877	30	50	DHEA	
CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C#N	12381774	WBRDVUJCJOEGDH-UHFFFAOYSA-N	308.381	3.873	30	50	DHEA	
Cc1cccc(-c2cc(-c3ccc(O)c(O)c3)c(C#N)c(N)n2)c1	67895486	VFNOGFDHZVXGOL-UHFFFAOYSA-N	317.348	3.589	30	50	DHEA	
Cc1ccc(CCC2CCN(c3cnc(C#N)cn3)CC2)cc1	121027196	CCFQNORPBVOYTH-UHFFFAOYSA-N	306.413	3.506	30	50	DHEA	
C=CCc1cc(CN2CCN(C(C)C)[C@H](CC)C2)ccc1OC	1506421669	LBMJGTABWSSPED-LJQANCHMSA-N	316.489	3.728	30	50	DHEA	
COc1ccc(Cl)cc1NC=C1C(=O)c2ccccc2C1=O	2945700	LUATYVLRGGEXTN-UHFFFAOYSA-N	313.740	3.724	30	50	DHEA	
CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(C)cc2)NC(=O)N1	6205244	MMVCAAGDTBMYAT-KRWDZBQOSA-N	306.365	3.506	30	50	DHEA	
COc1ccc(C=Nn2c(S)nnc2C2CCCCC2)cc1	244748606	OKWSNOMJJHBXTR-UHFFFAOYSA-N	316.430	3.505	30	50	DHEA	
N#CCc1cc(Br)c(F)c(F)c1Br	263625066	WKUSEDPRCUSHMT-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
N#Cc1c(NC(=O)c2cccnc2Cl)sc2c1CCCC2	35606	HYOSOVUPBKBIEQ-UHFFFAOYSA-N	317.801	3.799	30	50	DHEA	
COc1ccc(Cl)c(-c2nc3cc(C#N)ccc3[nH]2)c1F	67756007	BFOGWDCUNPSXHG-UHFFFAOYSA-N	301.708	3.903	30	50	DHEA	
Cn1cc([C@@H]2CCCN2c2ccc(C#N)c(C(F)(F)F)c2)cn1	109129403	QUNWOHDERNQBNO-HNNXBMFYSA-N	320.318	3.652	30	50	DHEA	
N#Cc1ccc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)s1	275357979	AQUSANURGDZPDD-MRXNPFEDSA-N	312.442	3.559	30	50	DHEA	
CN(C(=O)CC#N)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	368411639	ISJNSISVXOQFTK-UONOGXRCSA-N	310.319	3.714	30	50	DHEA	
C=CCCC[C@H](NCCc1c(C)noc1C)[C@@]1(C)CCCO1	1616041348	OTYSXHGDEBOFJB-ZWKOTPCHSA-N	306.450	3.718	30	50	DHEA	
Cc1cc2cc(-c3ccccc3)cn2c(N2CCOCC2)c1C#N	34368	YEWMPHNCBCBLCA-UHFFFAOYSA-N	317.392	3.623	30	50	DHEA	
C=CCc1cc(Cl)ccc1OCCN1C[C@H](C)O[C@H](C)C1	13153569	KWWLFRDAAIHMKQ-OKILXGFUSA-N	309.837	3.557	30	50	DHEA	
C=CCCS(=O)(=O)N1CCCCC[C@H]1c1ccc(CC)o1	120863755	KSXOQNOFIXTXPZ-HNNXBMFYSA-N	311.447	3.665	30	50	DHEA	
C/C(=N\Nc1cccc(C(F)(F)F)c1)c1csc(N)n1	222049053	DGDRNWWMDDPULX-CNHKJKLMSA-N	300.309	3.580	30	50	DHEA	
N#Cc1nc(-c2cccc3ccccc23)oc1NCCCC(=O)O	238901380	LTWTWGJHDMAJNB-UHFFFAOYSA-N	321.336	3.643	30	50	DHEA	
C[C@@H](C#N)Oc1ccc(CNC[C@H]2CCO[C@@H]2C(C)(C)C)cc1	189234310	BBHWPGJQALYKPY-LESCRADOSA-N	316.445	3.518	30	50	DHEA	
Cc1ncc(N=C(O)c2cn(C)nc2C2CCCCC2)s1	328857584	YEJHYOROLJXDOB-UHFFFAOYSA-N	304.419	3.869	30	50	DHEA	
C=CCSc1sc(C(=O)c2ccccc2)c(N)c1C#N	2576494	MGSDYTLJNWXBOB-UHFFFAOYSA-N	300.408	3.711	30	50	DHEA	
CNc1ccc([N+](=O)[O-])cc1N/C=C1\CCc2ccccc2C1=O	5090732	FNDGNOANPDDPTA-ACCUITESSA-N	323.352	3.761	30	50	DHEA	
C=CCCC[C@@H]1C[C@H]1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	43761581	LVHNROBLVJHWKA-GIBJHAEVSA-N	318.333	3.893	30	50	DHEA	
Cn1c(-c2ccc(NC(=O)C(C)(C)C#N)cc2)nc2ccccc21	408512829	FTPNVYHHINVAGB-UHFFFAOYSA-N	318.380	3.729	30	50	DHEA	
Cc1c(C#N)c(N2CCC[C@H](c3cc[nH]n3)C2)nc2ccccc12	590686181	ONZKVMVBYPOPOZ-AWEZNQCLSA-N	317.396	3.522	30	50	DHEA	
O=C1C(=Cc2ccc(N3CCCC3)cc2)C(=O)c2ccccc21	4620811	RJKAFJZQRITXSK-UHFFFAOYSA-N	303.361	3.749	30	50	DHEA	
C=C(C)COc1ccccc1CN[C@H](CC)c1nc(C)no1	55392851	RHGDJPJXHDJECC-OAHLLOKOSA-N	301.390	3.574	30	50	DHEA	
N#Cc1cnccc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1	364347763	PFZWVFABXKAFNR-ZDUSSCGKSA-N	324.453	3.673	30	50	DHEA	
C=C1C[C@]2(C)CC[C@H]1[C@@](O)(C[S@@](=O)(=NC)c1ccccc1)C2	71786694	BEDOXNPCQZRUQI-MSQSPTIYSA-N	319.470	3.641	30	50	DHEA	
COc1ccc2c(c1)c(=O)c1c(n2CC2(CC#N)CC2)CCCC1	596299455	KDXGSJWJMYHRMC-UHFFFAOYSA-N	322.408	3.583	30	50	DHEA	
CC(/C=N/N1CCN(c2ccccc2)CC1)=C\c1ccccc1	5024985	ZPQXCOCXZPFXBJ-QZIGRMKYSA-N	305.425	3.898	30	50	DHEA	
C=CCn1c([C@@H](C)NC(=O)c2ccccc2)nc2ccccc21	200884	SKDCXCATBQHMRL-CQSZACIVSA-N	305.381	3.713	30	50	DHEA	
Cc1ccc([C@H]2C[C@@H](C(F)F)n3ncc(C#N)c3N2)cc1C	2782738	BVCNAZAIFQRDMG-KGLIPLIRSA-N	302.328	3.735	30	50	DHEA	
C=CCN(Cc1ccccc1C)C(=O)Cc1nc(C)sc1C	55242333	RLBRIPDUTJMFFD-UHFFFAOYSA-N	314.454	3.826	30	50	DHEA	
C=CCN(Cc1ccco1)Cc1cc2c(cc1Cl)OCO2	55253961	YTHNWRCEXQOWNY-UHFFFAOYSA-N	305.761	3.850	30	50	DHEA	
Fc1ccccc1C=Nn1c(S)nnc1C1CCCCC1	252429428	NUBVSCDGQJXYPC-UHFFFAOYSA-N	304.394	3.636	30	50	DHEA	
CO[C@]1(C)CCCN(/C(O)=N/[C@@H](C)CCc2ccc(C)o2)CC1	328588757	ONFVUSJCBVFBAM-KBXCAEBGSA-N	322.449	3.714	30	50	DHEA	
C[C@@H]1C(B2OC(C)(C)C(C)(C)O2)=CCCN1C(=O)OC(C)(C)C	725239586	XEIWJKALNGAJLH-GFCCVEGCSA-N	323.242	3.574	30	50	DHEA	
N#Cc1ccc(NC(=O)c2ccccc2Br)cc1	38698	CGUMGABORJTSHH-UHFFFAOYSA-N	301.143	3.573	30	50	DHEA	
CC[C@@H](C)[C@@H]1CCCC/C1=N\NS(=O)(=O)c1ccc(C)cc1	17721237	FEEALDLWCLMVCP-BRDLOHTJSA-N	322.474	3.866	30	50	DHEA	
CCSCc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)no1	184725452	ZWRXCYOVHHVRMZ-UHFFFAOYSA-N	321.789	3.705	30	50	DHEA	
N#CCC[C@H](C#N)CN1CCC[C@H]1Cc1ccccc1Cl	247713788	LZTUMJFRIOUXTJ-ZBFHGGJFSA-N	301.821	3.790	30	50	DHEA	
Cc1ccc(N=Cc2c(O)ccc3cc([N+](=O)[O-])ccc23)nc1	252677968	BWJHGSKBNFAOAI-UHFFFAOYSA-N	307.309	3.908	30	50	DHEA	
CC1(C)CCc2nc(NC(=O)C3(C#N)CCCC3)sc2C1	331766683	LRGHSGOMZLSTIS-UHFFFAOYSA-N	303.431	3.680	30	50	DHEA	
CCOc1ccc(/C=N/NC(=S)Nc2ccc(C)cc2)cc1	46058	XWOJSLOKEGAEHH-LDADJPATSA-N	313.426	3.714	30	50	DHEA	
Cc1ccccc1C(=O)O/N=C/c1ccc(Br)cc1	96348	RXDVUWKPQXCPNF-LICLKQGHSA-N	318.170	3.948	30	50	DHEA	
COc1ccc(N/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1	4812757	QERBLUGVPVNLID-ZHACJKMWSA-N	313.353	3.521	30	50	DHEA	
CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(CC#N)cc1	8498373	KBNVGSZXJGDRHL-INIZCTEOSA-N	312.344	3.688	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)C3=CC[C@]21C	71769766	LHPNCVDPCZKRBF-MLZLACJZSA-N	310.437	3.803	30	50	DHEA	
COC(=O)/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccccc1	100331061	HRHDKTMGYBRILT-RVDMUPIBSA-N	315.756	3.692	30	50	DHEA	
CC(C)=C[C@@H]1[C@H](C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)C1(C)C	252517832	SNPJVTNWNZILAZ-WOSRLPQWSA-N	307.397	3.978	30	50	DHEA	
C[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](O)CC[C@H]32)C/C1=N\N	253500287	WYIOTJMJDQSAEQ-PVJGBODYSA-N	318.505	3.951	30	50	DHEA	
Cc1cscc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	429340300	HSZGISUFSSKFSD-JTQLQIEISA-N	310.300	3.960	30	50	DHEA	
O=C1C[C@H](c2ccccc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	4916125	VZJIQQCEQRDRTH-ZIAGYGMSSA-N	323.417	3.752	30	50	DHEA	
N#Cc1ccccc1-c1ccc(-c2cn(Cc3ccoc3)nn2)o1	91416563	MFAZDRFHDXCCTO-UHFFFAOYSA-N	316.320	3.718	30	50	DHEA	
C=CC[C@@H]1Nc2ccccc2[C@@H]1C[C@@H](N)C(O)(CC=C)CC=C	222301326	SODVTAFKCBYHBN-JENIJYKNSA-N	312.457	3.741	30	50	DHEA	
CC[C@@H](C)[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)C(F)(F)F	277512645	FTKYKJHKUQNHGS-JMCQJSRRSA-N	320.261	3.543	30	50	DHEA	
CCCO[C@@H]1CCCN(c2nc3ccccc3c(C)c2C#N)C1	1857670655	WQXXQYIPSUWKGT-OAHLLOKOSA-N	309.413	3.810	30	50	DHEA	
O=C1N/C(=N\c2ccccc2)S[C@H]1Cc1ccccc1Cl	5593927	RSAJGEYVHZOYDY-AWEZNQCLSA-N	316.813	3.802	30	50	DHEA	
CC(O)=Nc1ccn([C@@H]2CCN([C@H](C)c3ccccc3F)C2)n1	328630664	QCQUYRDEMOXGAN-TZMCWYRMSA-N	316.380	3.638	30	50	DHEA	
N#CCCn1cc(C=O)c(-c2ccc(-c3ccccc3)cc2)n1	2834393	KULOVIMFGCTAGH-UHFFFAOYSA-N	301.349	3.943	30	50	DHEA	
COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	5210876	VPAWFBROEHJSGP-YCRREMRBSA-N	313.309	3.508	30	50	DHEA	
C#CCN(CC=C)Cc1nc(-c2ccc(OC)c(C)c2)oc1C	15063802	NTVKNTSRQNIGBZ-UHFFFAOYSA-N	310.397	3.588	30	50	DHEA	
C=CCn1cc(CNCc2ccc(O[C@H](C)CC)cc2)c(C)n1	55199601	HJYQZCBRUGZQBR-OAHLLOKOSA-N	313.445	3.845	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]21C	71769767	LHPNCVDPCZKRBF-RQXATKFSSA-N	310.437	3.803	30	50	DHEA	
CC(/C=N/Nc1nnc2c(n1)[nH]c1ccccc12)=C\c1ccco1	4990076	XOVZIVYMMOFBGS-SLCIPMMZSA-N	318.340	3.600	30	50	DHEA	
COc1cccc([C@@H]2CCCCN2C(=O)c2ccccc2C#N)c1	77420992	LMBIAECMYHRNRM-IBGZPJMESA-N	320.392	3.934	30	50	DHEA	
C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\N)CC[C@@]43C)[C@@H]1CC/C2=N/N	253499840	PINUESXRWZTPOZ-ILOJEMPWSA-N	314.477	3.579	30	50	DHEA	biogenic
C=CCN(Cc1ccc(C)cc1)C(=O)c1c(C)cc(C)nc1O	1506400308	CGDXNEIMLZLYNB-UHFFFAOYSA-N	310.397	3.541	30	50	DHEA	
COC(=O)[C@@H](Cc1ccccc1)/N=C/c1ccc(Cl)cc1	1401418	KCAWLBQPKIIOAP-PUMYGXPMSA-N	301.773	3.543	30	50	DHEA	
C=CCOc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1	4842726	MLUWRILSTSPROK-UHFFFAOYSA-N	311.425	3.950	30	50	DHEA	
Cc1nc(SCCO[C@@H]2CCCCO2)c(C#N)c(C)c1C	6369932	CNOYQMKSPKSQKK-OAHLLOKOSA-N	306.431	3.514	30	50	DHEA	
C=CCOc1ccccc1C(=O)N[C@H](C)c1ccc(Cl)cn1	170605926	SEVJXBKSXINVJV-GFCCVEGCSA-N	316.788	3.791	30	50	DHEA	
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	3048647	CKPPCEJBGKVHPX-UHFFFAOYSA-N	307.802	3.721	30	50	DHEA	
C[C@@H](/N=C(/S)Nc1ccccc1)[C@@H]1COc2ccccc2O1	8691055	OFWGWRCVTONDAC-WBMJQRKESA-N	314.410	3.613	30	50	DHEA	
N#Cc1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2ccc(F)cc12	8703008	RXNOMZLGDSPXLH-UHFFFAOYSA-N	324.315	3.741	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]21C	9231481	IMSSROKUHAOUJS-ONUIULTDSA-N	310.437	3.916	30	50	DHEA	biogenic,in-vitro
O=C1C(=Cc2c[nH]nc2-c2ccccc2)C(=O)c2ccccc21	12341055	IXJUHXVYBYAZLB-UHFFFAOYSA-N	300.317	3.539	30	50	DHEA	
O=C1/C(=C/c2ccc([N+](=O)[O-])c(O)c2)Oc2ccc(Cl)cc21	299738205	JFXWEBXYTKDXAX-NSIKDUERSA-N	317.684	3.570	30	50	DHEA	
CC1(C)OB(c2cccc(OCCc3ccccc3)c2)OC1(C)C	310495442	ATJQSCLEHZVVJG-UHFFFAOYSA-N	324.229	3.607	30	50	DHEA	
Cc1ccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)cc1	5968173	LATDTLRIVGEFQX-VCHYOVAHSA-N	312.373	3.937	30	50	DHEA	
COc1ccc(/C=C/C(=O)c2c(C)[nH]c3ccccc3c2=O)cc1	17146603	HHQGHNOKEFJUFE-FMIVXFBMSA-N	319.360	3.741	30	50	DHEA	biogenic
CN1C(=O)/C(=C/c2ccccc2)S/C1=N/C1CCCCC1	100986744	VVVNYKWURWSVSR-RTEPIGOCSA-N	300.427	3.921	30	50	DHEA	
Cc1ccc(O)c(/C=N/n2c(-c3ccccc3)n[nH]c2=S)c1	6556637	QXRLOFAQFHZMRG-LICLKQGHSA-N	310.382	3.504	30	50	DHEA	
CCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO	32840889	QSKPZDMBULYMDQ-KRWDZBQOSA-N	316.482	3.974	30	50	DHEA	endogenous,in-man
C=C(C)COc1cccc(C(=O)N(C)Cc2ncccc2C)c1	55328028	KKPUZDVNYPJFAK-UHFFFAOYSA-N	310.397	3.617	30	50	DHEA	
Cn1cc(CN2CCCC[C@H]2CCc2cccs2)cc1C#N	77537972	UTPMMMGWOKKVKA-INIZCTEOSA-N	313.470	3.946	30	50	DHEA	
O=C1C[C@H](c2ccco2)CC(O)=C1c1cc(=O)c2ccccc2[nH]1	334157667	RVSNXALSQASAEP-LLVKDONJSA-N	321.332	3.537	30	50	DHEA	
C=CC[C@@H]1c2cccc(C(=O)O)c2C(=O)N1c1cccc(OC)c1	211894	PDSXXDOIHKJRKJ-MRXNPFEDSA-N	323.348	3.671	30	50	DHEA	
C=CCNc1nc(-c2sc(NC(=O)CC)nc2C)cs1	2994950	KKIRFKFYYRXZIV-UHFFFAOYSA-N	308.432	3.521	30	50	DHEA	aggregator
COc1ccc(COc2ccc(Br)cc2C#N)cc1	128103339	TVBDISIKGUJYFT-UHFFFAOYSA-N	318.170	3.908	30	50	DHEA	
FC(F)(F)c1cccnc1OC(C(F)(F)F)C(F)(F)F	169725704	OKDFMVZFBQBCRH-UHFFFAOYSA-N	313.119	3.972	30	50	DHEA	
FC(F)(F)c1ccncc1OC(C(F)(F)F)C(F)(F)F	169725749	MDIDYOYYCNDCSE-UHFFFAOYSA-N	313.119	3.972	30	50	DHEA	
Cc1ccc(N=Cc2cc(N=Nc3nonc3N)ccc2O)cc1	252430755	ICTZVTHAZQSWAK-UHFFFAOYSA-N	322.328	3.832	30	50	DHEA	
C#C[C@@]12CCC[C@]1(F)CN(c1cncc(-c3cccs3)n1)C2	2325798640	LGXCSGUUUMXRDB-IRXDYDNUSA-N	313.401	3.537	30	50	DHEA	
N#Cc1cccnc1SCC(=O)Nc1ccc2ccccc2c1	7051384	QVXYQCNYZVAKIE-UHFFFAOYSA-N	319.389	3.837	30	50	DHEA	
C=C(C)CN(CC)Cc1nc(Cc2ccccc2Cl)no1	14951515	BRQUOQGEUMGAKO-UHFFFAOYSA-N	305.809	3.712	30	50	DHEA	
C[C@H]1CCC/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C	32450989	SBGRMEQAXBQFOZ-ASYFJWBASA-N	306.322	3.727	30	50	DHEA	
CC1(C)OB(c2cc(Cl)cc(N3CCCCC3)c2)OC1(C)C	169965044	JYJSBMJOWHZUHO-UHFFFAOYSA-N	321.657	3.630	30	50	DHEA	
C=CC1(CC(=O)Nc2c[nH]nc2-c2ccccn2)CCCCC1	934906062	CUIUBANQTGOTDS-UHFFFAOYSA-N	310.401	3.937	30	50	DHEA	
Fc1ccc(NC(=S)N/N=C/c2c[nH]c3ccccc23)cc1	2506352	FBLMXIHVFUSFRT-VXLYETTFSA-N	312.373	3.628	30	50	DHEA	
C=CCn1cc(CNCc2ccc(O[C@@H](C)CC)cc2)c(C)n1	55199605	HJYQZCBRUGZQBR-HNNXBMFYSA-N	313.445	3.845	30	50	DHEA	
CC1(C)OB(c2cccc(SCC(F)(F)F)c2)OC1(C)C	199682976	KSZBRQNNLBTYTB-UHFFFAOYSA-N	318.169	3.640	30	50	DHEA	
C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=N/O)ccc2O1	827602455	CCASGZFYQSGCGT-HSWQHBDASA-N	319.364	3.671	30	50	DHEA	
COc1ccc(C(=O)/C=C(\C)Nc2ccc(C(=O)O)cc2)cc1	4819161	KKWFXSWUHKESQE-VAWYXSNFSA-N	311.337	3.592	30	50	DHEA	
C=CCn1cc(CN(C)[C@@H](C)c2nc(C)sc2C)c(C)n1	55327117	GKYPSKXQCWLLFG-LBPRGKRZSA-N	304.463	3.644	30	50	DHEA	
CCCCCCCCCCCC[C@H](C)N(CCO)CCO	95793907	VIGPKMHSXLRLJO-SFHVURJKSA-N	301.515	3.973	30	50	DHEA	
N#Cc1ccc(N2CCCC(F)(F)C2)c(Br)c1	169725862	VTKABDIFCILSSH-UHFFFAOYSA-N	301.134	3.556	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2cncc(Cl)c2)cc1	1875329055	BJDGDJGCQZMQMJ-QGZVFWFLSA-N	310.784	3.694	30	50	DHEA	
N#Cc1ccc(-c2ccc(F)cc2)n(Cc2cccc(F)c2)c1=O	3128225	MXFZCOXMXMFPHP-UHFFFAOYSA-N	322.314	3.713	30	50	DHEA	
COc1ccccc1-c1n[nH]c(SCc2ccc(C#N)cc2)n1	6728781	BFJRIKDGSNETFD-UHFFFAOYSA-N	322.393	3.644	30	50	DHEA	
COCCC/N=C1/CCC(c2ccccc2)(c2ccccc2)CN1	96027449	LKYWHZJJXOYJSE-UHFFFAOYSA-N	322.452	3.791	30	50	DHEA	
CC(C)(C)c1ccc2c(c1)CC1=C3[C@H](CC1)N(CCC#N)CCN32	137637149	ULOPUYGWMQWMGL-IBGZPJMESA-N	321.468	3.992	30	50	DHEA	
O=C(Nc1ccc(Cl)cc1)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]3O[C@H]3[C@@H]12	254352354	SHXFBSIHHBENLA-QJTLGEBBSA-N	319.788	3.700	30	50	DHEA	
CCCCc1ccc(NC(=O)C[n+]2cc3ccccc3cn2)cc1	2519845	OBMLTPLNALEXGL-UHFFFAOYSA-O	320.416	3.504	30	50	DHEA	
Cc1cccc(N/C(S)=N\N=C\c2ccc([N+](=O)[O-])s2)c1	8578206	LDIYKAIBQSIQBY-RIYZIHGNSA-N	320.399	3.697	30	50	DHEA	
C=CCN(Cc1cccnc1)C(=O)c1ccc(C(F)(F)F)cc1	67755709	DCLHTPFJIFRJKX-UHFFFAOYSA-N	320.314	3.929	30	50	DHEA	
COC(=O)c1sccc1N/N=C(/c1ccc(F)cc1)C1CC1	3909119	PHXRJBWZOPRXES-XMHGGMMESA-N	318.373	3.900	30	50	DHEA	
C=CCOc1ccccc1NC(=O)COc1ccc(C)c(C)c1	9815477	HBQBDCNAVYKFFJ-UHFFFAOYSA-N	311.381	3.886	30	50	DHEA	
CCc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1	20191345	QIIFZNGVBBGRRC-CJLVFECKSA-N	321.468	3.709	30	50	DHEA	
N#Cc1cc(N2CCCC(F)(F)C2)ccc1Br	169725805	KYDYWIJOONTCLM-UHFFFAOYSA-N	301.134	3.556	30	50	DHEA	
CCn1nc(C)c(/C(O)=N/[C@@H](C)c2ccc(Cl)cn2)c1C	330975349	CLTSOOGZDPWTCC-VIFPVBQESA-N	306.797	3.634	30	50	DHEA	
Cc1c(NCc2ccc(F)c(C#N)c2)cnn1-c1ccccc1	170618774	CULDACOPOQOYKI-UHFFFAOYSA-N	306.344	3.804	30	50	DHEA	
C[C@]12CC[C@@H]3[C@@H](CCC4=C/C(=N\N)CC[C@@]43C)[C@@H]1CC/C2=N/N	253499841	PINUESXRWZTPOZ-UIOCVAJHSA-N	314.477	3.579	30	50	DHEA	biogenic
C=C(C)c1ccccc1NC(=O)Cn1c(=O)sc2ccccc21	92151	CZLMUBHOSSFOOK-UHFFFAOYSA-N	324.405	3.735	30	50	DHEA	
C=CCSc1nc2ccccc2c(=O)n1-c1ccccc1C	2299479	IPDZQHNFQQNJKF-UHFFFAOYSA-N	308.406	3.972	30	50	DHEA	
N#Cc1c(NC(=O)c2cc(C3CC3)on2)sc2c1CCCC2	2497984	SVFVOOTWOKGWMU-UHFFFAOYSA-N	313.382	3.616	30	50	DHEA	
Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C#N)ccc1Cl	4842402	CPTGCZDODMWHIA-LBPRGKRZSA-N	314.772	3.926	30	50	DHEA	
COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2C)c1	5981881	GOYRIXYEUDPDFG-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
N#Cc1cnc(Nc2nc3ccccc3o2)nc1-c1ccccc1	18169481	ASNDNIVCIYLZAQ-UHFFFAOYSA-N	313.320	3.900	30	50	DHEA	
Cc1ncc(-c2ccccc2)cc1N=C(O)c1ccc(O)nc1	328586229	CYIVXNDWNCOPQF-UHFFFAOYSA-N	305.337	3.794	30	50	DHEA	
CCOCCC/N=C(/O)c1cc2cccc(C)c2nc1Cl	328592661	XUPGURQRQQXCSA-UHFFFAOYSA-N	306.793	3.928	30	50	DHEA	
Cc1nc2c(s1)CCC[C@@H]2C/N=C(/O)c1sc(C)nc1C	328629565	OZSRXLVOLWDRRA-LLVKDONJSA-N	321.471	3.950	30	50	DHEA	
C#C[C@H]1C[C@H]1C(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1	2325780014	ZQSFVMARDBKAKF-OXJNMPFZSA-N	316.404	3.509	30	50	DHEA	
N/C(=N\OC(=O)CCCc1ccccc1)c1ccccc1Cl	4755257	UKIUMBOMPZSYFY-UHFFFAOYSA-N	316.788	3.526	30	50	DHEA	
C=C(C)CN(C)Cc1ccc(C(=O)Nc2ncccc2C)cc1	65434792	PKRKNBXHXOFGBC-UHFFFAOYSA-N	309.413	3.650	30	50	DHEA	
COc1ccccc1NC=C1C(=O)CC(c2ccccc2)CC1=O	100585063	LNUPLWMQGRRJTE-UHFFFAOYSA-N	321.376	3.707	30	50	DHEA	
CC1(C)OB(c2ccc(/C=N/c3ccccc3)cc2)OC1(C)C	169904217	QOACLCIBJOVFJC-KGENOOAVSA-N	307.202	3.736	30	50	DHEA	in-vitro
N#Cc1cncc(N2CC3(CCCCC3)[C@H]2c2ccccc2)n1	333718827	UFJWWEFLMMIWHA-GOSISDBHSA-N	304.397	3.860	30	50	DHEA	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](F)C[C@@]43C)[C@@H]1CC[C@H]2O	118912861	QRNFMYYNRYGOQD-UZIRSRSFSA-N	306.421	3.827	30	50	DHEA	
C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(C#N)c(O)c1	189218651	ZOPWYKQVBWDSPP-FQEVSTJZSA-N	320.392	3.501	30	50	DHEA	
CC(O)=Nc1ccn([C@@H]2CCN([C@@H](C)c3ccccc3F)C2)n1	328630661	QCQUYRDEMOXGAN-GXTWGEPZSA-N	316.380	3.638	30	50	DHEA	
C=CCc1cc(CN(C)CCc2scnc2C)ccc1OC	1506414047	BRTCTZRWZSPHNT-UHFFFAOYSA-N	316.470	3.863	30	50	DHEA	
C=CCc1cc(C)ccc1OCCOCCN1CCC(C)CC1	3001745	CNLUHFVBHQRJMJ-UHFFFAOYSA-N	317.473	3.851	30	50	DHEA	
CC1(C)OB(CC(=O)c2ccc(C(F)(F)F)cc2)OC1(C)C	170007016	BGAYVKAGMPNHRX-UHFFFAOYSA-N	314.112	3.980	30	50	DHEA	
COc1cc(-c2cc(-c3ccco3)nc(N)c2C#N)ccc1F	67695106	DJCAUCQJMGIABX-UHFFFAOYSA-N	309.300	3.610	30	50	DHEA	
C=CCC[C@@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1ccco1	170615979	WWYMIFUJPNLSQH-ZIAGYGMSSA-N	316.367	3.761	30	50	DHEA	
C=CC[C@H]1CC=C[C@H](C)N1C(=O)Cc1csc(C(C)=O)c1	1616158878	PEFXNNGZOONSCG-WFASDCNBSA-N	303.427	3.615	30	50	DHEA	
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	1857524459	VGJUOWGYQZYCII-OQZLCYPDSA-N	314.469	3.674	30	50	DHEA	
Cc1ccccc1NC1(C#N)CCN(Cc2ccccc2)CC1	393837	PZPLFWQZPIAMRU-UHFFFAOYSA-N	305.425	3.965	30	50	DHEA	
Cc1ccc(O)c(/C=N/Nc2ncnc3sc(C)c(C)c23)c1	4017233	LXLULMXQNPFGRW-FBCYGCLPSA-N	312.398	3.768	30	50	DHEA	
N#Cc1c(F)c(Br)cc(Cl)c1Br	36532904	NMYLFKPJHPUBCS-UHFFFAOYSA-N	313.351	3.876	30	50	DHEA	
COc1ccc(C[S@@](=O)Cc2ccccc2Cl)cc1C#N	234934248	MKNMBWPIYCAFMJ-OAQYLSRUSA-N	319.813	3.669	30	50	DHEA	
CCOC(=O)c1ccc(N/C=C/C(=O)c2cccs2)cc1	438995	WMSBTFCMDWUYAZ-MDZDMXLPSA-N	301.367	3.733	30	50	DHEA	
COc1cc(/C=C2\Sc3ccccc3C2=O)cc(OC)c1O	16675770	QAVXFCTWAOCJHX-DHDCSXOGSA-N	314.362	3.739	30	50	DHEA	
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N/N	252694353	JMBJWQVSQZGGFA-YJFPLMCDSA-N	304.478	3.705	30	50	DHEA	biogenic
COc1ccc([C@H](NCC#N)c2ccc(C(F)(F)F)cc2)cc1	408513889	PKYCNOUYPBPZHX-MRXNPFEDSA-N	320.314	3.917	30	50	DHEA	
C=CCN(Cc1ccc(F)cc1)C(=O)c1cc(C(C)C)on1	55393060	OMKQRFWSPNGRDV-UHFFFAOYSA-N	302.349	3.766	30	50	DHEA	
Cc1ccc2cc(C(=O)NCC3CCC(C#N)CC3)c(C)nc2c1	225654699	QGWJERLMVBXSKC-UHFFFAOYSA-N	321.424	3.911	30	50	DHEA	
C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2Cc2ccc(C#N)cc2)C1	242302300	YREPJBDPCOHFDG-XLNTUCKNSA-N	312.457	3.710	30	50	DHEA	
O=[N+]([O-])c1ccc(N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1	4550682	NLFOXCBJUWNRFD-OVCLIPMQSA-N	320.692	3.602	30	50	DHEA	
C=CCc1cc(C(=O)Nc2ccc(F)cc2F)ccc1OC	14399505	DJFWNBUEVLZHGM-UHFFFAOYSA-N	303.308	3.954	30	50	DHEA	
CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N[C@@H]2c1ccco1	18244345	IEJPXEUAPVBZRP-MRXNPFEDSA-N	309.369	3.897	30	50	DHEA	
COc1ccccc1/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1	328614405	VXRYTFMMNDNFFX-CRAIPNDOSA-N	311.381	3.778	30	50	DHEA	
CCOc1ccccc1/C=N/n1c(-c2ccccc2)n[nH]c1=S	1302405	GMIGESWIGMCNJN-LDADJPATSA-N	324.409	3.889	30	50	DHEA	
FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F	95681764	BCNXQFASJTYKDJ-UHFFFAOYSA-N	300.042	3.812	30	50	DHEA	
C=C(C)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1	169795091	YAXSHOYVZVGDND-UHFFFAOYSA-N	314.504	3.733	30	50	DHEA	
CCOC(=O)[C@H](C#N)[C@]1(Cc2ccccc2)CCOC(C)(C)C1	206883	IVKJJYPTGRKTGJ-LPHOPBHVSA-N	315.413	3.507	30	50	DHEA	
CO/N=C\c1cc(C(=O)c2ccc(Cl)cc2Cl)cn1C	5219167	KNABZFDFZZRLPK-IDUWFGFVSA-N	311.168	3.543	30	50	DHEA	
C[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12	229632589	XJKVHMRENVLFIK-AYOQOUSVSA-N	310.441	3.918	30	50	DHEA	
CC1(C)OB(c2ccc(C(F)(F)F)cc2C(F)F)OC1(C)C	309674743	VUZWITCKAFITLP-UHFFFAOYSA-N	322.082	3.942	30	50	DHEA	
O=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3ccccn3)o2)c1	4982614	FEHSYQFOIBZNMK-WOJGMQOQSA-N	308.297	3.696	30	50	DHEA	
CCc1c(/C(O)=N/[C@@H]2CC(C)(C)OC2(C)C)cnn1C(C)(C)C	330717118	ABAJDCTUJDYWBG-CQSZACIVSA-N	321.465	3.851	30	50	DHEA	
CCN1C(=O)CCc2c(OCc3cc(F)cc(C#N)c3)cccc21	1875291343	WEFJNHJHTXKKJY-UHFFFAOYSA-N	324.355	3.575	30	50	DHEA	
CCOc1ccc(/C=C2\N=C(SCC)SC2=O)cc1OC	458355	DNBZNISQKMYBRS-FLIBITNWSA-N	323.439	3.817	30	50	DHEA	
Cc1ccc([N+](=O)[O-])cc1/N=C\Nc1cc([N+](=O)[O-])ccc1C	4773576	SGAHUNZKOXQOFW-UHFFFAOYSA-N	314.301	3.892	30	50	DHEA	
C=CCN(Cc1cccc(OC)c1)Cc1nc2ccccc2n1C	55414158	RSDFCMLUQRZJPI-UHFFFAOYSA-N	321.424	3.770	30	50	DHEA	
N#CCC(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl	187296827	DGYSPGQOVBJITF-MRXNPFEDSA-N	320.726	3.737	30	50	DHEA	
CCN(C(=O)NCc1ccc(C)c(OC)c1)c1ccc(C#N)cc1	225644800	BPJGVHFAGSESNY-UHFFFAOYSA-N	323.396	3.611	30	50	DHEA	
OC(=Nc1cnc(C2CC2)nc1)[C@@H]1C[C@]12CCOc1ccccc12	328604595	KGFOYSLRGIAMPI-KXBFYZLASA-N	321.380	3.682	30	50	DHEA	
C[C@@H](OCC1CC1)/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1	328611824	MTGZXEYDVRIXMK-KBRIMQKVSA-N	303.402	3.536	30	50	DHEA	
Cc1nc2c(s1)CCC[C@H]2C/N=C(/O)Nc1nc(C)c(C)o1	328632111	RORIDWMHSJKLPT-NSHDSACASA-N	320.418	3.502	30	50	DHEA	
Cc1ccccc1/C=N/n1c(-c2ccccc2F)n[nH]c1=S	5981883	URTFJXVJJIPNAK-VCHYOVAHSA-N	312.373	3.937	30	50	DHEA	
Cc1nc(SCCO[C@H]2CCCCO2)c(C#N)c(C)c1C	6369934	CNOYQMKSPKSQKK-HNNXBMFYSA-N	306.431	3.514	30	50	DHEA	
C=CCN(Cc1ccccc1OC)C(=O)C1Cc2ccccc2C1	55342718	LATRZQPMGDKNTC-UHFFFAOYSA-N	321.420	3.625	30	50	DHEA	
C[C@H]1CCN(C)C[C@H]1C#CC(O)(c1ccccc1)c1ccccc1	245245179	BFXRASMNEAQTBE-RBUKOAKNSA-N	319.448	3.514	30	50	DHEA	
Cc1nc(CC(C)C)c(C(=O)Nc2snc(C)c2C#N)s1	298575321	HTKWXYGIMCJUKK-UHFFFAOYSA-N	320.443	3.539	30	50	DHEA	
CCCCCCCCOC(=O)[C@H](N)Cc1c[nH]c2ccccc12	1604784	LEYORBXXAFPSGY-QGZVFWFLSA-N	316.445	3.941	30	50	DHEA	in-vitro
OC(=Nc1nc2cc(F)c(F)cc2s1)[C@H]1C[C@@]12CCOC2	329616975	FTAZUUSIYYQVHY-NXSYQRQQSA-N	310.325	3.589	30	50	DHEA	
Cc1ccc(OCc2ccccc2B2OC(C)(C)C(C)(C)O2)cc1	384464721	VCPAEQRCPAUQDZ-UHFFFAOYSA-N	324.229	3.873	30	50	DHEA	
C=CCc1cc(Cl)ccc1OCCCN1C[C@H](C)O[C@@H](C)C1	20167631	UALLEIYZPNUKFS-GJZGRUSLSA-N	323.864	3.947	30	50	DHEA	
Cn1cc(CN2CCCC[C@H]2CCc2cccc(O)c2)cc1C#N	72119551	QIFRQQUWCQXCBF-SFHVURJKSA-N	323.440	3.590	30	50	DHEA	
Cc1cc(C)c2cc(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)[nH]c2c1	170629582	GQKBMXOQOGBCSI-CWTRNNRKSA-N	309.413	3.987	30	50	DHEA	
Cc1ccc([C@H]2C[C@H](C(F)F)n3ncc(C#N)c3N2)cc1C	2782740	BVCNAZAIFQRDMG-ZIAGYGMSSA-N	302.328	3.735	30	50	DHEA	
COc1cccc([C@H](C)/N=C(/S)NCc2ccc(F)cc2)c1	13932569	AUIFGNSEBLDJPR-LBPRGKRZSA-N	318.417	3.971	30	50	DHEA	
C=C(C)[C@H]1CCC(C)=C1COC[C@H](O)COc1ccccc1	22228935	MFDUHKNJKVNWPB-FUHWJXTLSA-N	302.414	3.746	30	50	DHEA	
CC(C)(CCC#N)CNC(=O)Nc1cc(C(F)(F)F)ccn1	350676945	PYDFIQPODZYFHS-UHFFFAOYSA-N	314.311	3.552	30	50	DHEA	
N#Cc1cc2c(nc1NCC1CCC(C(F)F)CC1)CCC2	1875336920	JYNIJJCMEJWVJJ-UHFFFAOYSA-N	305.372	3.925	30	50	DHEA	
Fc1ccc(NC(=S)N/N=C/c2cccc(Cl)c2)cc1	2506380	YXOZQWIMCHCXJF-RQZCQDPDSA-N	307.781	3.800	30	50	DHEA	
C=C(C)CSc1ncc(-c2ccc(OCC)cc2)c(N)n1	6709679	RJNOVOGDIMRWHY-UHFFFAOYSA-N	301.415	3.793	30	50	DHEA	
N#Cc1ccnc(NCc2cccnc2Oc2ccccc2F)c1	67774243	MTCLZPCKQMXFEU-UHFFFAOYSA-N	320.327	3.892	30	50	DHEA	
C=C(C)OC(=O)CCOC(=O)Nc1cccc(C(F)(F)F)c1	2167133	WOJTUUXELQFCNL-UHFFFAOYSA-N	317.263	3.721	30	50	DHEA	
C[C@H]1Cc2cc(-c3cc(-c4cc[nH]c4)nc(N)c3C#N)ccc2O1	71681157	IFLHFAFNHGQHDV-NSHDSACASA-N	316.364	3.521	30	50	DHEA	
COc1cccc(/C=C/c2nc(C#N)c(N3CCCCC3)o2)c1	4853686	QCROOZZWLDZGCD-CMDGGOBGSA-N	309.369	3.716	30	50	DHEA	
N/C(S)=N\N=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1	8579006	KWPFCUBSHONXMQ-OMCISZLKSA-N	314.197	3.832	30	50	DHEA	aggregator
C[C@@H]1OCc2c1nc(N)c(C#N)c2-c1c(F)cccc1Cl	71759863	JTDSCVDEJFMCFY-ZETCQYMHSA-N	303.724	3.586	30	50	DHEA	
N#C[C@@H]1CCCN(Cc2nc(-c3ccc(F)cc3)cs2)C1	97674338	YIOJLTDFXSNPQY-LBPRGKRZSA-N	301.390	3.685	30	50	DHEA	
C=CCN(Cc1cccc(OC)c1)Cc1c(C)nn(C)c1Cl	55165933	UGOIITQLNXDFTI-UHFFFAOYSA-N	319.836	3.579	30	50	DHEA	
Cc1ccc2oc(CN(Cc3ccco3)C(=O)CC#N)cc2c1	170599110	VOSHWJDVUJSWDW-UHFFFAOYSA-N	308.337	3.777	30	50	DHEA	
N#C[C@H](C(=O)c1ccco1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1	247717055	ODZLVQHAXYFAHO-IHRRRGAJSA-N	313.740	3.628	30	50	DHEA	
CCCC(=O)C1=C(Nc2ccccc2O)CC(C)(C)CC1=O	287279	UTPOHXXFQFBJCH-UHFFFAOYSA-N	301.386	3.817	30	50	DHEA	
CCc1cc(C#N)c(NC(=O)[C@@H](OC)c2ccccc2)s1	183072294	WPIBFKHXJMCMEO-AWEZNQCLSA-N	300.383	3.508	30	50	DHEA	
CC(=O)Nc1cccc(C(=O)/C=C/c2scnc2C2CC2)c1	782303008	UGMVHGDEERQFJN-BQYQJAHWSA-N	312.394	3.875	30	50	DHEA	
N#C[C@@H]1CCC[C@@H](CC(=O)N2CCSC23CCCCC3)C1	2325773472	FPRMGKIBCRMYOG-HUUCEWRRSA-N	306.475	3.942	30	50	DHEA	
O=C(Nc1ccc(Cl)cc1)O/N=C/c1ccc([N+](=O)[O-])cc1	291239	QGOSTHNDDQFMHG-CXUHLZMHSA-N	319.704	3.831	30	50	DHEA	
C=C[C@]1(C)C[C@@H](O)[C@@]2(C)[C@@H](C)CC[C@@]3(CCC(=O)[C@@H]23)[C@@H](C)C1=O	71786888	YHTMMGCWQFVLTN-XUPOEZCCSA-N	318.457	3.550	30	50	DHEA	
FC(F)(F)C(F)(F)[C@@]1(F)OC1(C(F)(F)F)C(F)(F)F	100478204	NOESGFSFSJKFIF-VKHMYHEASA-N	316.041	3.743	30	50	DHEA	
C=CCn1c(NCc2ccc(N(C)C)cc2)nc2ccccc21	532157	JWBULUZBRAMZOK-UHFFFAOYSA-N	306.413	3.900	30	50	DHEA	
CC(C)c1ccc(C#N)c(N(C)Cc2nc3ccc(F)cc3[nH]2)n1	1529177629	CBGREXWPHCZRRK-UHFFFAOYSA-N	323.375	3.728	30	50	DHEA	
C[C@@H]1CCCN(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1	1875264933	PXUXRAQECKUANE-KBAYOESNSA-N	311.429	3.610	30	50	DHEA	
CCN(/C=N/c1sc2c(c1C#N)CC(C)(C)NC2(C)C)CC	13154646	JLLIHDKQVAQYLA-YBFXNURJSA-N	318.490	3.781	30	50	DHEA	
COC(=O)/C(=C/C(=O)c1ccc(C)cc1)Nc1ccc(C)cc1	100624671	ZUYVZCXHGWXAON-ATVHPVEESA-N	309.365	3.655	30	50	DHEA	
COc1cccc(/C=N/n2c(C3CCCCC3)n[nH]c2=S)c1	5880421	YSKGZGCSCUCBQS-GZTJUZNOSA-N	316.430	3.879	30	50	DHEA	
N#CCC[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccccc1	167248111	WWLGGWSOLGXIQU-INIZCTEOSA-N	306.325	3.923	30	50	DHEA	
COc1ccc(C(=O)/C=C/Nc2cc([N+](=O)[O-])ccc2C)cc1	16347112	QAHXKIGWBAXZSU-MDZDMXLPSA-N	312.325	3.720	30	50	DHEA	
N#Cc1c(-c2ccc(F)c(Cl)c2)cc(-c2ccc[nH]2)nc1N	71575490	ZEEMDRSFULJSHM-UHFFFAOYSA-N	312.735	3.990	30	50	DHEA	
Cc1cc(C(=O)NC2(C#N)CCCCC2)ccc1Br	135493244	CCEPPYHYSAIEIF-UHFFFAOYSA-N	321.218	3.714	30	50	DHEA	
N#Cc1ccc(N2CCCC[C@H]2c2nccs2)c([N+](=O)[O-])c1	299664161	NWRKMRZEISGVAQ-ZDUSSCGKSA-N	314.370	3.655	30	50	DHEA	
C#Cc1cncc(NC(=O)C[C@@H](C)c2c[nH]c3ccccc23)c1	1875316420	PQLVXBGPZCXKQL-CYBMUJFWSA-N	303.365	3.677	30	50	DHEA	
COc1ccccc1OCCCn1cc(C#N)c2ccccc21	2842036	UIIOEQPMQCGHBM-UHFFFAOYSA-N	306.365	3.991	30	50	DHEA	
Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1C#N	2506724	OWQGHRDFFLJOGF-UHFFFAOYSA-N	301.564	3.595	30	50	DHEA	
Cc1n(C(F)F)c2ccccc2[n+]1CC(=O)c1cccs1	2581697	SRQOQYFZVNDLKS-UHFFFAOYSA-N	307.345	3.577	30	50	DHEA	
C=CCn1cc(CN[C@@H](C)Cn2ccc3ccccc32)c(C)n1	55405226	DTOBVMSNNMKDMT-HNNXBMFYSA-N	308.429	3.511	30	50	DHEA	
Sc1nnc(-c2ccccc2)n1/N=C/c1c[nH]c2ccccc12	28700	FXULRNPQMDLPQY-YBFXNURJSA-N	319.393	3.597	30	50	DHEA	
N#Cc1cc(Oc2cccc3cccnc23)c([N+](=O)[O-])cc1C#N	453248	BFZTWDSUWGYPQM-UHFFFAOYSA-N	316.276	3.679	30	50	DHEA	
O=C1C[C@@H](c2c(Cl)cccc2Cl)C2=C(CCCC2=O)N1	4520723	YEBRXIYKZFFYBA-QMMMGPOBSA-N	310.180	3.604	30	50	DHEA	
COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccccc1C	5981885	IQOHIGCQJCJTCB-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
CC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)CC1	1857780669	BTTZUSDXQJMFCM-UHFFFAOYSA-N	313.250	3.840	30	50	DHEA	
N#CCC(=O)NCc1ccc(Sc2ccc(F)cc2)cc1	186095746	APLMXJNUZCLFNM-UHFFFAOYSA-N	300.358	3.507	30	50	DHEA	
C=CC[C@H]1C=CC[C@@H](CC=C)N1C(=O)c1ccccc1[N+](=O)[O-]	289264	NFAXFQGMLZCARZ-LSDHHAIUSA-N	312.369	3.886	30	50	DHEA	
CCOC(=O)N(C)OC(=O)Nc1ccc(Cl)c(Cl)c1	3157349	ZTFASFHCLHOGDO-UHFFFAOYSA-N	307.133	3.545	30	50	DHEA	
Cn1c2ccccc2c2cc(B3OC(C)(C)C(C)(C)O3)ccc21	169743544	AVCKYKVGQYBADD-UHFFFAOYSA-N	307.202	3.631	30	50	DHEA	
N#C[C@@H]1CCCN(C(=O)c2cccc(-c3cccc(F)c3)c2)C1	220461053	IKRNABHBIRLJLV-AWEZNQCLSA-N	308.356	3.868	30	50	DHEA	
CC(C)[C@@H](NCc1cccc(C#N)c1)c1nc2ccccc2[nH]1	236739327	BKNPLRMOQGPYOY-GOSISDBHSA-N	304.397	3.921	30	50	DHEA	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(C)C2(C#N)CCC2)cc1	253393259	XQMQOJCZBNMZJT-CQSZACIVSA-N	312.413	3.533	30	50	DHEA	
CCOC(=O)c1c(-c2ccccc2)csc1N=CN(C)C	254826891	BXJDJSHXYURFER-UHFFFAOYSA-N	302.399	3.813	30	50	DHEA	
O=[N+]([O-])c1ccc(N/C(S)=N\CCc2ccc(F)cc2)cc1	8682754	GBFSFYSCDBSPJY-UHFFFAOYSA-N	319.361	3.674	30	50	DHEA	
C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)c1ccc(C#N)cc1	371258689	PIKYSUXDCLJRSX-OAHLLOKOSA-N	316.408	3.810	30	50	DHEA	
O=C(c1cccc2c1-c1ccccc1/C2=N/O)N1CCCCC1	18008239	MBWOTAXKUVDVNQ-ZZEZOPTASA-N	306.365	3.520	30	50	DHEA	
N#CCc1ccccc1NC(=O)c1cc(F)c(F)cc1Cl	225795805	CZTKBFRSMPLWLS-UHFFFAOYSA-N	306.699	3.937	30	50	DHEA	
Cc1cccc(C(=O)O/N=C/c2ccc(Br)cc2)c1	284499	PLAHKHBHZRLPII-LICLKQGHSA-N	318.170	3.948	30	50	DHEA	
C=CCSc1nc2ccccc2c(=O)n1-c1cccc(C)c1	1819513	PKZQSVSWQAHZTR-UHFFFAOYSA-N	308.406	3.972	30	50	DHEA	
C=CCOc1cccc(/C=C2\N=C(SCC)SC2=O)c1	4953994	OTYNUPAUHZPEHR-RAXLEYEMSA-N	305.424	3.975	30	50	DHEA	
CC1(C)OB(c2ccccc2COc2ccccc2)OC1(C)C	169743725	DTPMFYHICLWUGJ-UHFFFAOYSA-N	310.202	3.565	30	50	DHEA	
CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1	252480187	BXPTUNVPBOVPGD-WOJGMQOQSA-N	307.349	3.890	30	50	DHEA	
O/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3	201763	QBOZQSQRHBUPNU-GIDUJCDVSA-N	310.147	3.588	30	50	DHEA	
C=CCNc1ccccc1C(=O)N(CC=C)Cc1ccccn1	65407353	QVDOGAFCXJCHGT-UHFFFAOYSA-N	307.397	3.508	30	50	DHEA	
CC1=C(C)/C(=N\OC(=O)Nc2ccc(Cl)cc2)C=CC1=O	2906784	GGTFZZGVJVTRFN-AQTBWJFISA-N	304.733	3.720	30	50	DHEA	
COc1cccc(/C=N/Nc2ccc3ccccc3n2)c1OC	4705108	NHKYIFKGRDJNOQ-XDHOZWIPSA-N	307.353	3.698	30	50	DHEA	
CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1	5073222	PCHQAAMZFOUKDO-VZUCSPMQSA-N	312.365	3.999	30	50	DHEA	
C=CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C	12058342	CNHWIUKGNFZDPN-INIZCTEOSA-N	323.440	3.887	30	50	DHEA	
C[C@H](CC#N)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	158219523	CSVTWXGBGVKZAE-CYBMUJFWSA-N	320.352	3.774	30	50	DHEA	
N#C[C@@H]1CC[C@H](Nc2nc(-c3cccnc3)nc3ccccc23)C1	819943319	DCIGFDYUCFNIPX-HIFRSBDPSA-N	315.380	3.796	30	50	DHEA	
C=CCN(Cc1ccsc1)C1CCN(Cc2ccco2)CC1	952961146	PCALGQHSOQDPCN-UHFFFAOYSA-N	316.470	3.994	30	50	DHEA	
N#C[C@H]1CCC[C@@H](CC(=O)N2CCSC23CCCCC3)C1	2325773470	FPRMGKIBCRMYOG-CABCVRRESA-N	306.475	3.942	30	50	DHEA	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	22116662	CHNXZKVNWQUJIB-SJFWLOONSA-N	312.453	3.883	30	50	DHEA	biogenic,in-man
COc1ccc(N/C=C\C(=O)c2ccc(OC)cc2OC)cc1	106188703	GDLBXDJYAHYZON-KHPPLWFESA-N	313.353	3.521	30	50	DHEA	
Cc1c(C#N)c(=NCC(C)(C)c2ccncc2)[nH]c2ccccc12	2325855300	RIVBPRMNJFJYJK-UHFFFAOYSA-N	316.408	3.622	30	50	DHEA	
COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)o2)cc1	3556141	GBIMUVCBEOUMHP-UHFFFAOYSA-N	323.377	3.909	30	50	DHEA	
C=CCn1ncc(CN(C)CCOc2ccc(C)cc2C)c1C	55341512	GTANJMZQDYITHB-UHFFFAOYSA-N	313.445	3.505	30	50	DHEA	
CN(C)/C=C/C(=O)/C(=C/c1ccccc1)Oc1ccc(C#N)cc1	1385320	KMIDGVQYIXVSIO-JBOXLTRLSA-N	318.376	3.623	30	50	DHEA	
CCOc1ccc(/C=N/c2ccc(OC)c([N+](=O)[O-])c2)cc1	3150435	LGDUHDPAOPMUMR-GZTJUZNOSA-N	300.314	3.753	30	50	DHEA	
COc1ccccc1-c1nnc(SCc2ccccc2C#N)o1	9483415	ORWFKFICSXOUST-UHFFFAOYSA-N	323.377	3.909	30	50	DHEA	
COC(=O)c1cc(CN[C@@H](C)c2ccc(C#N)cc2)c(C)s1	271703255	UKGVSNPHFAVJHG-NSHDSACASA-N	314.410	3.566	30	50	DHEA	
C=CCN(Cc1ccc(-c2ccn[nH]2)o1)Cc1ccccc1OC	55271836	NEGPASWIXAHHFA-UHFFFAOYSA-N	323.396	3.867	30	50	DHEA	
N#Cc1ccccc1-c1ccc(-c2nccn2C[C@@H]2CCCO2)o1	82146027	AHBLCSNGJOYAAM-HNNXBMFYSA-N	319.364	3.861	30	50	DHEA	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](F)C[C@@]43C)[C@H]1CC[C@@H]2O	90647880	QRNFMYYNRYGOQD-FHIWRVIUSA-N	306.421	3.827	30	50	DHEA	
COc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2	59329	JWEWISPZFGVKEZ-UHFFFAOYSA-N	312.394	3.759	30	50	DHEA	
CCOC(=O)/C(=C\c1ccc(OC)cc1)C(=O)c1ccccc1	4566113	QHQGWIMXOYYVLM-LGMDPLHJSA-N	310.349	3.525	30	50	DHEA	
O=C1/C(=C/c2cccc(O)c2[N+](=O)[O-])Oc2ccc(Cl)cc21	299738254	NZBCCEHKJAHZJN-MLPAPPSSSA-N	317.684	3.570	30	50	DHEA	
C=CCn1ncc(CN(C)Cc2nc3ccccc3s2)c1C	820505258	HFORMMGFDMEILM-UHFFFAOYSA-N	312.442	3.619	30	50	DHEA	
CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CC1	953089915	MSKXXAJDSUEMSL-UHFFFAOYSA-N	323.242	3.575	30	50	DHEA	
N#Cc1cccc(-c2nnc3n2CCCC[C@H]3C2CCOCC2)c1	1616038174	IMLJLXUCPZOLFQ-KRWDZBQOSA-N	322.412	3.511	30	50	DHEA	
CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(F)cc1	2338728	IDFSUYPXSUDRKE-MRXNPFEDSA-N	319.376	3.690	30	50	DHEA	
O=C1C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21	2561683	OQFJCPXCJZXMRH-FNORWQNLSA-N	305.289	3.614	30	50	DHEA	
CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21	3794601	WSEQXVZVJXJVFP-HXUWFJFHSA-N	324.399	3.813	30	50	DHEA	biogenic,fda
CC(C)C[C@@H](C)OC(=O)N1CCC(C#N)(c2ccccn2)CC1	495868347	KHVJUAIYQNXMQK-OAHLLOKOSA-N	315.417	3.510	30	50	DHEA	
Cc1ccc(S(=O)(=O)N/N=C2\CCCCC23CCCC3)cc1	43763552	NMYPSCURYGQOSR-FBMGVBCBSA-N	320.458	3.764	30	50	DHEA	
C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1c(C)[nH]c(C(C)=O)c1C	67743275	XNTCFPYVCJOTQV-IAQYHMDHSA-N	300.402	3.569	30	50	DHEA	
C=CCNC(=O)c1cc(-c2ccccn2)nc2c(C)cc(C)cc12	2867523	OGKGCPMMNQCRAF-UHFFFAOYSA-N	317.392	3.829	30	50	DHEA	
C[C@H]1CCC[C@H](C)C1NC1=C(Cl)C(=O)c2ccccc2C1=O	4955898	MARHGYQSTZJHAI-QWRGUYRKSA-N	317.816	3.930	30	50	DHEA	
N#CCN(C(=O)c1cc(C(F)(F)F)ccc1F)C1CCCC1	176838614	KHGNTLNSQHEDMI-UHFFFAOYSA-N	314.282	3.753	30	50	DHEA	
Cc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)o1	239229087	URNGZYHBAJMOIQ-UHFFFAOYSA-N	318.789	3.671	30	50	DHEA	
CC[C@@H](/N=C(/O)N1CCOCC2(CCC2)C1)c1cccs1	328587397	MILGBEUZGZMGQB-CYBMUJFWSA-N	308.447	3.616	30	50	DHEA	
CN1CCCC[C@]1(C)C#CC(O)(c1ccccc1)c1ccccc1	1217261	RAKUXMKMNIXLSC-OAQYLSRUSA-N	319.448	3.800	30	50	DHEA	
Cc1ccc2nc(SCC(=O)Nc3ccccc3C#N)oc2c1	4769809	BSCQJYDMKPGRAG-UHFFFAOYSA-N	323.377	3.739	30	50	DHEA	
COc1ccc(/C=N/Nc2ccccc2)cc1Br	4775979	HKWNROJGXVLFPI-MHWRWJLKSA-N	305.175	3.904	30	50	DHEA	
CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1ccccc1C#N	1506417399	HVJWEPLHZSDHQC-NRFANRHFSA-N	318.420	3.998	30	50	DHEA	
C#CCCC1(CCNC(=O)c2cccc3cccc(OC)c23)N=N1	2325891537	NIGMNLKWRAKPDZ-UHFFFAOYSA-N	321.380	3.544	30	50	DHEA	
O=C1CCCC2=C1[C@H](c1ccc(O)cc1)Nc1ccccc1N2	107403	GMAAVEZPPABTHF-IBGZPJMESA-N	306.365	3.978	30	50	DHEA	
Cc1ccc(C#N)c(SCC(=O)c2ccc(Cl)cc2)n1	196718	NAPYFXJAKDEMHH-UHFFFAOYSA-N	302.786	3.890	30	50	DHEA	
Cc1noc(C)c1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	1053582	VRXBBLZUPFKQLA-MRVPVSSYSA-N	315.398	3.602	30	50	DHEA	
C[C@H](Nc1ncnc2cc(F)c(F)cc12)c1cccc(C#N)c1	170644285	SMZSZTRKUFYVFX-JTQLQIEISA-N	310.307	3.953	30	50	DHEA	
Fc1ccccc1/C=N/n1c(-c2ccccc2F)n[nH]c1=S	5998105	QFJCBIHIKWFPJG-GIJQJNRQSA-N	316.336	3.768	30	50	DHEA	
CC(C)(C#N)C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1	281927804	HSKIJMJFLGNKSX-XYPYZODXSA-N	311.212	3.905	30	50	DHEA	
CSC[C@H](C)C(O)=NNc1ncnc(Cl)c1C(C)C	328599428	RUWNHPOIEFJFJM-QMMMGPOBSA-N	302.831	3.536	30	50	DHEA	
OC1=N[C@@H](/C(O)=N/[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1	329098593	CVJYYSTXWUYWMI-YUSALJHKSA-N	312.291	3.637	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2ncccc2Cl)cc1	1875329038	APDDGCIQYVEFJW-MRXNPFEDSA-N	310.784	3.694	30	50	DHEA	
N#Cc1ccccc1CN(Cc1ccsc1)C[C@H]1CCCO1	55099940	JZYUOJBXLZDRGX-GOSISDBHSA-N	312.438	3.801	30	50	DHEA	
CCc1cc(C#N)ccc1NC(=O)N(C)CCC[C@@H]1CCCO1	95502488	JFMUAVDCQRBPGJ-MRXNPFEDSA-N	315.417	3.544	30	50	DHEA	
CC1(C)CC(=O)C(=C2NC3(CCCC3)Cc3ccccc32)C(=O)C1	100580566	YLRCPXFRNDSOAN-UHFFFAOYSA-N	323.436	3.814	30	50	DHEA	
CC(O)=Nc1ccn([C@@H]2CCN([C@@H](C)c3cccc(C)c3)C2)n1	328621214	HORRBARQLKWSJD-WMLDXEAASA-N	312.417	3.807	30	50	DHEA	
C=C(C)CN(CC)C(=O)C1CCN(CC2CCCCC2)CC1	236138	YFGDOPINFLOLBC-UHFFFAOYSA-N	306.494	3.703	30	50	DHEA	
C=CCOc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1	2860244	IVTBTMATXVOSGH-GHRIWEEISA-N	305.333	3.596	30	50	DHEA	
CCc1onc(C)c1/C(O)=N/C[C@H]1CCCc2sc(C)nc21	328618038	DHQGCVWOVHFXBF-LLVKDONJSA-N	319.430	3.735	30	50	DHEA	
Cn1nc2c(c1C/N=C(/O)c1coc3ccccc13)CCCC2	329747371	SINMHHDTOPUHGH-UHFFFAOYSA-N	309.369	3.550	30	50	DHEA	
CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1F	1758919	DETKTIXGLHYHFR-MRXNPFEDSA-N	319.376	3.690	30	50	DHEA	
C=CCNC(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1	1775937	SDRVGEQFDLJDBW-ZRDIBKRKSA-N	323.392	3.590	30	50	DHEA	
C=CCNC(=O)c1cc(-c2ccncc2)nc2c(C)cc(C)cc12	37867438	JOONXRLSWMALLV-UHFFFAOYSA-N	317.392	3.829	30	50	DHEA	
CCOc1ccc(NC(C)=C2C(=O)c3ccccc3C2=O)cc1	100553628	OGKXNGGUXHLHTM-UHFFFAOYSA-N	307.349	3.850	30	50	DHEA	
C#Cc1cccc(N(Cc2nc(-c3cccnc3)no2)C(C)C)c1	114718559	KIAUUZCHTJHUIK-UHFFFAOYSA-N	318.380	3.528	30	50	DHEA	
CC(=O)N1CCC[C@H](/C(O)=N/[C@H]2CCCCC23CCCC3)C1	328587901	IKMDLFPSOKGPLD-HOTGVXAUSA-N	306.450	3.704	30	50	DHEA	
CC1(C)OB(c2cccc([C@H](F)C(F)(F)F)c2)OC1(C)C	757123875	ULESUEFSZRWMMQ-NSHDSACASA-N	304.092	3.559	30	50	DHEA	
C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	2560085	GYUPEJSTJSFVRR-UHFFFAOYSA-N	318.135	3.574	30	50	DHEA	
CC(C)(C)OC(=O)N[C@H]1CCC=C(B2OC(C)(C)C(C)(C)O2)C1	169747327	MFPBSOYHSNYOKC-ZDUSSCGKSA-N	323.242	3.621	30	50	DHEA	
COc1ccc(C#N)cc1COc1ccnc(C(F)(F)F)c1	170616289	SWBWXIJMRWUELM-UHFFFAOYSA-N	308.259	3.560	30	50	DHEA	
N#Cc1cccnc1N1CCc2cc(-c3ccccc3)oc2C1	225441412	MZOWACUKVSWTNX-UHFFFAOYSA-N	301.349	3.776	30	50	DHEA	
C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=N/O)ccc2O1	827602454	CCASGZFYQSGCGT-AYPRBGQRSA-N	319.364	3.671	30	50	DHEA	
N#Cc1cccc([C@@H]2C=C(C(F)(F)F)NC3=C2C(=O)CCC3)c1	33968217	RUVMMEREJMHLOS-LBPRGKRZSA-N	318.298	3.698	30	50	DHEA	
C=CCCc1ccccc1NC(=O)N1CCC[C@H]1c1cnn(C)c1	241435194	NLOBUEKATROVTK-SFHVURJKSA-N	324.428	3.908	30	50	DHEA	
CCOc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1	2506495	CYMGALJVOUALOF-WOJGMQOQSA-N	317.389	3.545	30	50	DHEA	
C=CCOc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1	2844774	LGSRQTILNKUMMX-KAMYIIQDSA-N	311.362	3.657	30	50	DHEA	
COc1ccc([C@H]2Nc3ncccc3NC3=C2C(=O)CCC3)cc1	18244356	NPSUQKZMFXCDRE-GOSISDBHSA-N	321.380	3.676	30	50	DHEA	
CC[C@H](C)[C@H](OC)C(=O)Nc1cc(C(C)(C)C)sc1C#N	331183609	SQWSNEGBTQHXTO-HZMBPMFUSA-N	308.447	3.917	30	50	DHEA	
Cn1ncc2c1CC/C(=C\c1ccc(Cl)cc1Cl)C2=O	1392686	CGMPWTPBFBZDOX-UXBLZVDNSA-N	307.180	3.939	30	50	DHEA	
C=CCN(CC=C)Cc1nc(-c2ccc(F)c(OC)c2)oc1C	12594822	JYYIZVLWZAVDFR-UHFFFAOYSA-N	316.376	3.972	30	50	DHEA	
C=CCNc1ccccc1C(=O)N(C)[C@@H](C)Cc1ncccc1C	55270650	DTVQKOOXMOWAJD-INIZCTEOSA-N	323.440	3.691	30	50	DHEA	
COc1cccc([C@@H]2CCCN2C(=O)c2ccccc2C#N)c1	77455054	NKQJTIWMWAGMGB-SFHVURJKSA-N	306.365	3.544	30	50	DHEA	
N#CC(CCc1cc(N)ncn1)(c1ccccc1)c1ccccc1	92028561	MLHQQPWXXBAAHH-UHFFFAOYSA-N	314.392	3.501	30	50	DHEA	
CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2ccc(C#N)cc21	261508584	UVTKXTHVLCYUJL-FQEVSTJZSA-N	324.399	3.813	30	50	DHEA	
C(=N/N1CCN(c2ccccc2)CC1)\c1cccc2ccccc12	136393	MELLEQOHDHKBDA-OQKWZONESA-N	315.420	3.996	30	50	DHEA	
Cc1c(C#N)c(-c2ccc([C@H](C)N3CCOCC3)cc2)c(C)n1C	426522869	KBFHGOFMXIPXRC-AWEZNQCLSA-N	323.440	3.574	30	50	DHEA	
CC(C)[C@@H](c1ccccc1)N(C(=O)CSCC#N)C(C)C	863947415	IHJCTFOJBSXZHX-KRWDZBQOSA-N	304.459	3.877	30	50	DHEA	
CCCC[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H](C(C)C)O1	1875244247	OLNNVQWQGWHMRQ-RTBURBONSA-N	300.446	3.974	30	50	DHEA	
COc1ccc(CN/C=C/C(=O)c2ccc(Cl)cc2)cc1	4917070	SXGUZMWJAOMLIU-ZHACJKMWSA-N	301.773	3.835	30	50	DHEA	
Cn1cc(CN2CCCC[C@@H]2CCc2cccc(O)c2)cc1C#N	72119550	QIFRQQUWCQXCBF-GOSISDBHSA-N	323.440	3.590	30	50	DHEA	
CC[C@@]1(C)Cc2ccccc2C(=C2C(=O)CC(C)(C)CC2=O)N1	100505042	ZNRFBJBCSNPRSA-FQEVSTJZSA-N	311.425	3.670	30	50	DHEA	
Cc1nc2c(s1)CCC[C@@H]2C/N=C(/O)Nc1nc(C)c(C)o1	328632110	RORIDWMHSJKLPT-LLVKDONJSA-N	320.418	3.502	30	50	DHEA	
CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc(C(C)(C)C)sc1C#N	331183612	SQWSNEGBTQHXTO-QMTHXVAHSA-N	308.447	3.917	30	50	DHEA	
CCCOC1(c2noc(-c3ccc(C#N)nc3)n2)CCCCC1	347333622	PZHFOGXECSPGSC-UHFFFAOYSA-N	312.373	3.589	30	50	DHEA	
C#CCCC1(CCC(=O)NCC2CC[C@H]3[C@H](CC2)C3(F)F)N=N1	1875368587	CBIOGZOZXBZTKO-KBPBESRZSA-N	323.387	3.530	30	50	DHEA	
C=CCc1ccc(OCCCNCc2ccccc2)c(OC)c1	4913812	QLEOTCJWCBDBGT-UHFFFAOYSA-N	311.425	3.982	30	50	DHEA	
C=C(C)Cn1c(CNC(=O)c2ccccc2)nc2ccccc21	1927062	XZPOKFYSHVJZRG-UHFFFAOYSA-N	305.381	3.542	30	50	DHEA	
C[C@H]1CCc2cc(C#N)c(NC[C@H]3CCCCS3)nc2C1	1875336929	KFYCKZQGHDFEKZ-SWLSCSKDSA-N	301.459	3.776	30	50	DHEA	
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C#N	471425	ILMHLFHTIBJPSP-LLVKDONJSA-N	300.745	3.618	30	50	DHEA	
O/N=C/c1ccccc1OCc1ccc(Br)cc1	6926830	OKSXDSIHQDPMLV-CXUHLZMHSA-N	306.159	3.836	30	50	DHEA	
COc1ccc([C@H]2C[C@@H]2c2nc(C#N)c(N3CCCCC3)o2)cc1	1857799374	ZGBHSMJGMSFVLT-CVEARBPZSA-N	323.396	3.816	30	50	DHEA	
Cc1ccccc1/C=N/n1c(C)nc2sc(C)c(C)c2c1=O	2743884	YEMYIYKDOAWPQE-GIJQJNRQSA-N	311.410	3.574	30	50	DHEA	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CC#N)cc1	12380800	OYAYKCGTRGENPP-GFCCVEGCSA-N	314.772	3.812	30	50	DHEA	
N#Cc1ccc(F)c(C(=O)NCC[C@H]2CCc3ccccc32)c1	854688351	RCSTYRSYLDSGBF-OAHLLOKOSA-N	308.356	3.547	30	50	DHEA	
C=C(C)COc1cccc(CNCc2ccc3c(c2)OCO3)c1	55108195	DWPAJGIMVMDLQH-UHFFFAOYSA-N	311.381	3.660	30	50	DHEA	
N#CCc1cc(Br)c(F)c(Br)c1F	263624454	QPZWYVCFTQKGRV-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
CC(C)(C)c1ccc(C#N)c(N2CC[C@@H](c3ccncc3)C2)n1	599103555	UTAVWDMYDDTRFS-MRXNPFEDSA-N	306.413	3.640	30	50	DHEA	
C=CCc1cc(CN(C)Cc2ccon2)ccc1OC(C)C	820505584	CNWZCCLPGBQUJN-UHFFFAOYSA-N	300.402	3.822	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2ccc3[nH]cc(CC#N)c3c2)N=N1	2325892898	PGVQXSWCQLSRGI-UHFFFAOYSA-N	319.368	3.528	30	50	DHEA	
Cc1cc(C(=O)/C=C/c2ccc(N(C)C)cc2)ccc1[N+](=O)[O-]	4981876	ZMUFUEOFTZXPTC-IZZDOVSWSA-N	310.353	3.865	30	50	DHEA	
CCC/N=C(/O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1C	328608330	YRLSQGZPNXUONR-YOEHRIQHSA-N	313.401	3.625	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)cn2)cc1	1875329410	UQZDGCDJEBIPEV-QGZVFWFLSA-N	310.784	3.694	30	50	DHEA	
C=CCc1ccccc1OCCOc1ccc(C=O)cc1OC	2866690	MIILXZHQPPXYCN-UHFFFAOYSA-N	312.365	3.694	30	50	DHEA	
N#Cc1ccccc1CSc1nc2ccc([N+](=O)[O-])cc2[nH]1	4810522	CVCSPANFIAOVBI-UHFFFAOYSA-N	310.338	3.635	30	50	DHEA	
C=CCN(Cc1ccccn1)C(=O)c1ccccc1N1CCCC1	65536486	HPZDUVZDURRUQT-UHFFFAOYSA-N	321.424	3.510	30	50	DHEA	
Cc1nc2c(s1)CCC[C@H]2C/N=C(/O)Nc1cnccc1C	328616459	BSPWJLOVUXQEQS-LBPRGKRZSA-N	316.430	3.601	30	50	DHEA	
O=[N+]([O-])c1ccc(Cl)c(/C=N/Nc2ccccc2[N+](=O)[O-])c1	4578348	WDGSRFQFJQMXAG-OVCLIPMQSA-N	320.692	3.602	30	50	DHEA	
Cc1nc(C(N)=S)sc1C(=O)/C=C/C=C/c1ccccc1	5678607	NCVXUVUPWGGBHW-NXZHAISVSA-N	314.435	3.538	30	50	DHEA	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CC#N)c2C#N)C1	5901663	BCTSYLOAQBTVHS-SNVBAGLBSA-N	301.415	3.623	30	50	DHEA	
C#C[C@H](Cc1ccccc1)OC(=O)[C@H]1C[C@H]1c1ccc(F)cc1	230190480	AFGJEFIRQUVJEB-QYZOEREBSA-N	308.352	3.717	30	50	DHEA	
C[C@H](OCC1CC1)/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1	328611823	MTGZXEYDVRIXMK-IAOVAPTHSA-N	303.402	3.536	30	50	DHEA	
CCCCOc1ccc(/C=N/n2c(CC)n[nH]c2=S)cc1	5848893	IHFLWQFUBKGCRG-LFIBNONCSA-N	304.419	3.564	30	50	DHEA	
Cc1ccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)s1	5969498	CNAVNFSWUXDYDN-LZYBPNLTSA-N	318.402	3.625	30	50	DHEA	
C[C@@H]1[C@H]2C[C@@H](CC(C)(C)C2)N1CC(=O)[C@@H](C#N)c1ccccc1	226795384	MPCQATJIMCXBFJ-UBDQQSCGSA-N	310.441	3.762	30	50	DHEA	
N#Cc1cccnc1/C=C/c1cccc(NC(=O)C(F)(F)F)c1	253426300	SGIJSEJUSLCRRW-VOTSOKGWSA-N	317.270	3.624	30	50	DHEA	
Cc1ccc(/C(O)=N/C[C@H]2CCO[C@@H]2c2ccccc2)c(C)n1	328610467	HXZHCORVQMGLAP-SJLPKXTDSA-N	310.397	3.781	30	50	DHEA	
Cc1csc(C2(/N=C(/O)[C@@H](C)n3nc(C)cc3C)CCC2)n1	329272194	ACHYRCVSUSJSLL-CYBMUJFWSA-N	318.446	3.862	30	50	DHEA	
Cc1noc(C)c1C(C)(C)/N=C(/O)c1cnn(C(C)C)c1C	330672846	ONDPNKJTJVAMOL-UHFFFAOYSA-N	304.394	3.617	30	50	DHEA	
CN(Cc1ccc(C#N)o1)c1cccc([C@H](O)c2ccccc2)c1	2325879819	IZKOFIQKMOIMQT-HXUWFJFHSA-N	318.376	3.869	30	50	DHEA	
Cc1nc2sc(C#N)c(N)c2c(C)c1CC(=O)c1ccccc1	78735	NQKJWLHWESWXTO-UHFFFAOYSA-N	321.405	3.792	30	50	DHEA	
C=C[C@]1(C)C[C@@H](O)[C@@]2(C)[C@@H](C)CC[C@@]3(CCC(=O)[C@H]23)[C@@H](C)C1=O	43763572	YHTMMGCWQFVLTN-DCFJPCKZSA-N	318.457	3.550	30	50	DHEA	
O=C[C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1	90669451	NEUUUDUJOWNVQD-FKHAVUOCSA-N	313.400	3.862	30	50	DHEA	
C=C(C)CN(CC)C(=O)Nc1cc(NC(=O)NCC)ccc1C	278999879	SZZICWUUDNPPAQ-UHFFFAOYSA-N	318.421	3.566	30	50	DHEA	
C=CCc1ccc(OCCOc2cccc(OC)c2)c(OC)c1	2985331	NGWGARMECTXXCN-UHFFFAOYSA-N	314.381	3.890	30	50	DHEA	
COc1c(O)cc(/C=N/Nc2ccccc2)cc1Br	5669975	ZNHWSUUGQQJLFI-CXUHLZMHSA-N	321.174	3.609	30	50	DHEA	
CCN(CC)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	55419933	FTFJKDPPUAKRPI-LDADJPATSA-N	313.357	3.897	30	50	DHEA	
O=C(O)c1ccc(N=Cc2cc(Br)ccc2O)cc1	254384696	DPNSNZZTWGHWJB-UHFFFAOYSA-N	320.142	3.604	30	50	DHEA	
C=CC[C@H]1CC=C[C@H](C)N1Cc1ccc(OC)c(OC)c1OC	1615686149	IXAYYFYTAMIWPZ-HOCLYGCPSA-N	317.429	3.808	30	50	DHEA	
C=CCOc1cccc(/C=C2\N=C(c3cccs3)OC2=O)c1	2849918	KADKYFPBDSISBQ-KAMYIIQDSA-N	311.362	3.657	30	50	DHEA	
C=CC[C@H]1C=C(C)C[C@H](CC=C)N1Cc1cnc(COC)nc1	63856211	KCKTWPPTCFXLEO-ROUUACIJSA-N	313.445	3.664	30	50	DHEA	
Clc1sc(Cl)c2c1CCC/C2=N/Nc1cncnc1	1875255277	PGKWOYJUPNJCQS-NVMNQCDNSA-N	313.213	3.997	30	50	DHEA	
COc1ccc(OC)c(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1	5073015	CPMXLXRYPNHVIV-SOFGYWHQSA-N	313.309	3.508	30	50	DHEA	
O=C1Nc2ccccc2/C1=N\c1ccc(Br)cc1	13115341	MDVXHMPADQICQN-UHFFFAOYSA-N	301.143	3.522	30	50	DHEA	
C=CCc1cccc(Cl)c1OCCCCN1CCOCC1	20653232	HNYYFRLSJWBRSX-UHFFFAOYSA-N	309.837	3.560	30	50	DHEA	
C=C(C)CN(C)Cc1cccc(C(=O)Nc2ccc(C#N)cc2)c1	67847321	DOGDEXOQDISJLI-UHFFFAOYSA-N	319.408	3.818	30	50	DHEA	
C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)Cc1cccs1	153251595	ZTEZVVVCPMUOBU-JTQLQIEISA-N	320.364	3.507	30	50	DHEA	
CC1(C)OB(c2ccc(Oc3ccc(F)cc3)cc2)OC1(C)C	203530028	KAYPYEFNCGPLIB-UHFFFAOYSA-N	314.165	3.917	30	50	DHEA	
Cc1cscc1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	429340301	HSZGISUFSSKFSD-SNVBAGLBSA-N	310.300	3.960	30	50	DHEA	
O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)Nc1ccccc1N2	107405	GMAAVEZPPABTHF-LJQANCHMSA-N	306.365	3.978	30	50	DHEA	
N#CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	4594152	VLIVNXAHVBFILG-UHFFFAOYSA-N	315.716	3.567	30	50	DHEA	
CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC	43200202	UVVWQQKSNZLUQA-UHFFFAOYSA-N	322.401	3.747	30	50	DHEA	biogenic,in-vitro
CC#CCCCC(=O)NCc1nc(-c2ccccc2)c(C)s1	170596955	PJZDRYNDLVEEOR-UHFFFAOYSA-N	312.438	3.928	30	50	DHEA	
CCCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl	498047567	HSISIAUHCQPWHO-UHFFFAOYSA-N	310.630	3.818	30	50	DHEA	
C[C@@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C	725343367	MZSYKURYVHHEFH-GFCCVEGCSA-N	323.242	3.574	30	50	DHEA	
C=CCc1cc(CN(C)C[C@H]2CCOC2)ccc1OC(C)C	820505658	POVUBMZWFACRSA-QGZVFWFLSA-N	303.446	3.671	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2cc(OC)c3ncccc3c2)N=N1	952882582	VXSGQDZKRFOMAU-UHFFFAOYSA-N	322.368	3.538	30	50	DHEA	
CCCC(=O)Nc1ccc(Br)c(Cl)c1C#N	1875280314	RTQNYISVRFEIKL-UHFFFAOYSA-N	301.571	3.713	30	50	DHEA	
N#Cc1ccc(Cl)cc1NC(=S)NCCc1ccccc1	111922	NVQOJJDWPQHEAC-UHFFFAOYSA-N	315.829	3.741	30	50	DHEA	
Oc1c(Cl)cc(Cl)cc1/C=N/Nc1nccnc1Cl	3965814	LMOYCULUBBQBMR-YAXRCOADSA-N	317.563	3.588	30	50	DHEA	
Sc1nnc(-c2cccc(Cl)c2)n1/N=C/c1cccs1	5996270	YPPJXZJAFGPOCV-OVCLIPMQSA-N	320.830	3.831	30	50	DHEA	
C=C1[C@@H](OC(=O)CCc2c(C)nn(C)c2C)C[C@H]2C[C@@H]1C2(C)C	252497750	QOYOONJDINXUDF-PVAVHDDUSA-N	316.445	3.504	30	50	DHEA	
C#C[C@](O)(CCCC[C@](O)(C#C)c1ccccc1)c1ccccc1	2518993	BJCMPOHEYNVCRV-SZPZYZBQSA-N	318.416	3.589	30	50	DHEA	
C=CC[C@H]1C=C(C)C[C@H](CC=C)N1Cc1nccn1CCOC	55211940	ZGTBQELLAUPABZ-ROUUACIJSA-N	315.461	3.571	30	50	DHEA	
O=[N+]([O-])c1ccc(O)c(/N=C/c2c(O)ccc3ccccc23)c1	19800771	XRGZYPNTZNCLGR-VCHYOVAHSA-N	308.293	3.910	30	50	DHEA	
COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1	49989	GRWGJVLJPBIKNT-UHFFFAOYSA-N	324.376	3.823	30	50	DHEA	
O=[N+]([O-])c1ccc(/C=N\Sc2ccc([N+](=O)[O-])cc2)cc1	4831619	UTJXDDPOZFXRIB-ZROIWOOFSA-N	303.299	3.629	30	50	DHEA	
C=C(C)COc1c(CN(C)[C@@H](C)c2ccon2)cccc1OC	55284892	QMPZSULUEQQTGC-AWEZNQCLSA-N	316.401	3.831	30	50	DHEA	
N#C[C@H](COC(=O)c1cnc(C2CC2)s1)Cc1ccccc1	170654760	XNYFSWMNIBPMLT-CYBMUJFWSA-N	312.394	3.560	30	50	DHEA	
Cc1nc2c(s1)CCC[C@@H]2C/N=C(/O)c1csnc1C	328627385	MTPBDGKAQIUGBT-SNVBAGLBSA-N	307.444	3.641	30	50	DHEA	
N#Cc1ccc(OC(=O)Nc2ccc(Br)cc2)cc1	398014	IJYMEUFOCJEFRU-UHFFFAOYSA-N	317.142	3.932	30	50	DHEA	
N#Cc1cccc(Oc2ccc(CN3CCCC3)cc2Cl)n1	67725212	BIWGVWDSJFQKLE-UHFFFAOYSA-N	313.788	3.995	30	50	DHEA	
CCCCOC/C=C/c1ccc(B2OC(C)(C)C(C)(C)O2)cc1	1776031847	PTGSPSIRENUQDR-CMDGGOBGSA-N	316.250	3.816	30	50	DHEA	
Cc1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1	4176996	NCANKFSPCUAAGZ-KEBDBYFISA-N	323.421	3.527	30	50	DHEA	
C=CCN1C(=O)CC(c2ccccc2)=Nc2ccc(OC)cc21	101687414	XCXLKGLVWNYXJE-UHFFFAOYSA-N	306.365	3.739	30	50	DHEA	
CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc3nccn3c2)CC1	187297873	ACZRMWHZAMKVFM-UHFFFAOYSA-N	324.428	3.563	30	50	DHEA	
O=C1/C(=C\c2cc(F)ncc2F)CSc2ccc(F)cc21	253426338	SPWVGONJKOVVER-OQFOIZHKSA-N	307.296	3.871	30	50	DHEA	
Fc1ccc(NC(=S)N/N=C/c2ccccc2Cl)cc1	72360	YJXLBKVCUAQDKZ-RQZCQDPDSA-N	307.781	3.800	30	50	DHEA	
N#CC1(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)CCCCC1	329318454	DJSNKGPONYZJFF-QGZVFWFLSA-N	312.413	3.537	30	50	DHEA	
N#Cc1c[nH]c2cc(C(=O)N3CC[C@H](c4ccccc4)C3)ccc12	1136432099	DBJHSFFPFHRVBY-INIZCTEOSA-N	315.376	3.669	30	50	DHEA	
C[C@@H]1CCCCN1CC#CC(O)(c1ccccc1)c1ccccc1	1234568	YRJGDOGTIIGTTP-LJQANCHMSA-N	319.448	3.800	30	50	DHEA	
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Oc1ccc(C(=O)OC)cc1)C2	100261906	WXZZJRGTZNMVNL-IFXJQAMLSA-N	314.381	3.761	30	50	DHEA	
CC[C@@H](C#N)C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1	593417226	PQDJALCHVJPRRF-JTQLQIEISA-N	303.362	3.746	30	50	DHEA	
C=CCNCCCOc1ccc(Cl)cc1Br	3460854	PGABDFSBOFCBGQ-UHFFFAOYSA-N	304.615	3.647	30	50	DHEA	
COc1cccc(C#N)c1OCc1ccccc1Br	4828620	JLANYAXBMJVTBT-UHFFFAOYSA-N	318.170	3.908	30	50	DHEA	
C=CCn1cc(CN(Cc2sccc2C)C2CC2)c(C)n1	55182996	PPKKDXMTNVAWDW-UHFFFAOYSA-N	301.459	3.912	30	50	DHEA	
FC(F)(F)C(F)(F)[C@]1(F)OC1(C(F)(F)F)C(F)(F)F	100478207	NOESGFSFSJKFIF-GSVOUGTGSA-N	316.041	3.743	30	50	DHEA	
Cc1cc(C)cc([C@H]2CCN(c3nnc(C)c(C)c3C#N)C2)c1	302127450	FXWNSKQIMVWTDH-INIZCTEOSA-N	306.413	3.576	30	50	DHEA	
CC(=O)c1ccc(NC=C2C(=O)CC(CC(C)C)CC2=O)cc1	2550051	SFPFDOSPKXZUIX-UHFFFAOYSA-N	313.397	3.779	30	50	DHEA	
Cc1ccc(C)c(N/C(S)=N\Cc2ccc3c(c2)OCO3)c1	13482769	MVVKCVKGFBKBRI-UHFFFAOYSA-N	314.410	3.930	30	50	DHEA	
CCC(CC)n1ncc2c1NC(=O)C[C@@H]2c1ccccc1C#N	65536310	NPXXYTGVDDRCOA-OAHLLOKOSA-N	308.385	3.590	30	50	DHEA	
C=CCC[C@@H](CN1CCCC1)Oc1ccc(C(F)(F)F)cn1	67739582	XJPKJGOVXXZDEM-AWEZNQCLSA-N	314.351	3.910	30	50	DHEA	
CC(C)COc1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1	169905027	IFNKGTMEGBNLCN-UHFFFAOYSA-N	310.630	3.674	30	50	DHEA	
Cc1nc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(C#N)c2)cs1	275048847	SFKHVSZBFJDLKK-OAHLLOKOSA-N	314.370	3.573	30	50	DHEA	
CC(O)=Nc1ccn([C@H]2CCN(Cc3c(C)cccc3C)C2)n1	328637601	WBPDOHMCUKPZOK-INIZCTEOSA-N	312.417	3.555	30	50	DHEA	
Cc1cc(/C(O)=N/[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)co1	331271883	GTYNLCWXRUDWOK-LBPRGKRZSA-N	315.295	3.547	30	50	DHEA	
C=CC[C@@H](C(=O)N1CC[C@H](c2ccccn2)C1)c1ccccc1	798717352	ZPUSULHPTCYNOG-ZWKOTPCHSA-N	306.409	3.757	30	50	DHEA	
Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1	206301	JOYODYSMWJOLOP-UHFFFAOYSA-N	311.410	3.609	30	50	DHEA	
COc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2)c(OC)c1	4100768	QCTNLFAZPZODLQ-VMPITWQZSA-N	318.756	3.959	30	50	DHEA	
N#C[C@H](C(=O)CC1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1	130199998	AFPUPFYFYRQEPV-GFCCVEGCSA-N	322.767	3.707	30	50	DHEA	
O=[N+]([O-])c1ccc(N/N=C/c2c(O)ccc3ccccc23)cc1	4866101	YYOIHJYAMLJWBA-WOJGMQOQSA-N	307.309	3.900	30	50	DHEA	
N#Cc1ccc(OCCCOc2cccc3cccnc23)cc1	4868560	OJIUUQQHOHNIDE-UHFFFAOYSA-N	304.349	3.954	30	50	DHEA	
CCC(=O)Nc1cc(NC2=CC(=O)C[C@@H](C)C2)ccc1Cl	16739902	FCAYEIDAGNKSQQ-JTQLQIEISA-N	306.793	3.983	30	50	DHEA	
CCn1cc(CN(C)Cc2cccc3cnccc23)cc1C#N	72433541	MIASYLBAFYOEJI-UHFFFAOYSA-N	304.397	3.560	30	50	DHEA	
CC(C)(C)c1ncc(/C=C/c2nc(C(=O)O)ccc2C#N)s1	170633480	FNHZOXMIJBIEGK-FNORWQNLSA-N	313.382	3.576	30	50	DHEA	
N#Cc1ccc(F)c(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1	275907625	JAHZPIMHHPXMAG-GOSISDBHSA-N	324.403	3.636	30	50	DHEA	
CCN(C(=O)c1ccc(-c2cc(C#N)ccc2O)cc1)C1CC1	426405476	IFJPXXSIQFUSCG-UHFFFAOYSA-N	306.365	3.555	30	50	DHEA	
O=C(/C=C/c1cn(C[C@H]2CO2)c2ccccc12)c1ccccc1	828176541	BKAQLRQZVBQKDB-DVQDXYAYSA-N	303.361	3.936	30	50	DHEA	
N#Cc1ccccc1-c1ccc(-c2nccn2[C@@H]2CCOC2)o1	1857666925	AKLASIKAANCOQA-CQSZACIVSA-N	305.337	3.643	30	50	DHEA	
COc1ccccc1/C=C1\S/C(=N/c2ccccc2C)NC1=O	18086453	ZDTXNMROYJOECE-WJDWOHSUSA-N	324.405	3.895	30	50	DHEA	
Cn1c(C(=O)O[C@H](C#N)C2CCCCC2)cc(Cl)c1Cl	225550428	MHGBGTXTKKMWPA-GFCCVEGCSA-N	315.200	3.961	30	50	DHEA	
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@]1(C#N)CC12CCCC2	333675392	DKFRAWJGCWUISP-IFXJQAMLSA-N	307.397	3.552	30	50	DHEA	
O=C(O)c1ccc(N/N=C2/CCCOc3cc(F)ccc32)cc1	1875258660	SAVYBVIBYFBMHT-HKWRFOASSA-N	314.316	3.513	30	50	DHEA	
COC(=O)C1=CC(=O)[C@]2(C)CCc3c(ccc4ccccc34)[C@H]12	4532767	TVQYYCZBEKLJIM-QUCCMNQESA-N	306.361	3.558	30	50	DHEA	
C=C(C)COc1ccccc1C(=O)N(C)Cc1csc(C)n1	55152869	HPBLXUPEHCWPPT-UHFFFAOYSA-N	316.426	3.679	30	50	DHEA	
C#CCOc1ccc(CN[C@H](C)c2sc(C)nc2C)cc1	113325934	UNMGMMNKPZHJST-GFCCVEGCSA-N	300.427	3.623	30	50	DHEA	
CCC[C@@]1(COC)CCCN1C(=O)Nc1ccc(CC#N)cc1	194585611	IXQLEVZFPUJVFZ-SFHVURJKSA-N	315.417	3.566	30	50	DHEA	
N#Cc1cncc(COC(=O)CCc2ccc3ccccc3c2)c1	2325855752	NODURBBBEUAASO-UHFFFAOYSA-N	316.360	3.782	30	50	DHEA	
OC(CC#CCN1CCCCC1)(c1ccccc1)c1ccccc1	2226475	WJNKFUZWBNENLV-UHFFFAOYSA-N	319.448	3.802	30	50	DHEA	
C/C(=N\Nc1nc(C)cc(-c2ccccc2)n1)c1cccc(N)c1	4947239	OQFSEOVGOKWHAS-OEAKJJBVSA-N	317.396	3.870	30	50	DHEA	
CCc1nc(N)c(C#N)c(-c2cccc(Br)c2)c1C	19812718	LVKFQKQLDARSIQ-UHFFFAOYSA-N	316.202	3.836	30	50	DHEA	
Cc1c(/C(O)=N/c2cccc(-c3nnn[nH]3)c2)oc2ccccc12	34066578	OVUBUAZUZUUMKK-UHFFFAOYSA-N	319.324	3.558	30	50	DHEA	
CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1CCCc2cccnc21	252498493	RDEPGSRIIYFYFI-HNNXBMFYSA-N	322.412	3.568	30	50	DHEA	
Clc1ccc(CN2CCN(/N=C/c3cccs3)CC2)cc1	19773038	PLIADARKKRSWPG-LDADJPATSA-N	319.861	3.553	30	50	DHEA	
Cc1ccsc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O	100261195	AIXWIJFUIZOXMI-WOJGMQOQSA-N	311.410	3.605	30	50	DHEA	
CC(C)(C)c1ccc2c(c1)CC1=C3[C@@H](CC1)N(CCC#N)CCN32	137637056	ULOPUYGWMQWMGL-LJQANCHMSA-N	321.468	3.992	30	50	DHEA	
CC(C)N(c1c(C#N)cccc1C(=O)c1cccnc1)C(C)C	170622772	DNTYMLOOOBXMPW-UHFFFAOYSA-N	307.397	3.807	30	50	DHEA	
CC[C@@H](CC#N)Nc1nc(-c2cccnc2)nc2ccccc12	762815752	IJMPGDBGEWJOKK-AWEZNQCLSA-N	303.369	3.796	30	50	DHEA	
Cc1ccc(C#N)c(NC[C@]2(c3ccc(F)cc3)CCOC2)c1	20867628	VZGMHUWEICGCRS-LJQANCHMSA-N	310.372	3.776	30	50	DHEA	
N#Cc1ccc(F)c(CN2CCC[C@@](O)(c3ccccc3)CC2)c1	225674948	HPGZWSOHYIBOER-FQEVSTJZSA-N	324.399	3.571	30	50	DHEA	
N#C[C@H]1CCC[C@H]1OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	253426202	YPDSHJNZCBDRLA-FZKQIMNGSA-N	308.381	3.896	30	50	DHEA	
N#Cc1ccc(C(=O)Nc2ccccc2N2CCCCC2)c(F)c1	4843061	DBEZXOXQZAARMO-UHFFFAOYSA-N	323.371	3.940	30	50	DHEA	
O/N=C(/c1ccccc1)c1cc2c(s1)CCCC/C2=N/O	106912782	MZHOKWFVRULYSM-XXQBJQNUSA-N	300.383	3.879	30	50	DHEA	
C=C[C@H](C)c1noc([C@@]2(C)CCCN2C(=O)c2ccccc2)n1	225590926	HRNHSDGGSDSTPE-SCLBCKFNSA-N	311.385	3.511	30	50	DHEA	
CC(C)N(C)c1ccccc1N=C(O)c1cncc(Cl)n1	328591335	HJXQAHOEOJMTMH-UHFFFAOYSA-N	304.781	3.611	30	50	DHEA	
C=C/C(O)=N/[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1	328596842	ATEXTKDGVUTOOI-AWEZNQCLSA-N	322.364	3.727	30	50	DHEA	
O=C(O)CCN1C(=CC=Nc2ccccc2)Oc2ccccc21	1857524645	GRMYUDFDCFVVJZ-UHFFFAOYSA-N	308.337	3.604	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2ccncc2Cl)cc1	1875329087	DASNJCWZCGCCPY-QGZVFWFLSA-N	310.784	3.694	30	50	DHEA	
CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1	4853380	IAOSQPWOMMQOPG-MRXNPFEDSA-N	301.386	3.551	30	50	DHEA	
Cc1cccc(-c2nnc(S)n2/N=C/c2sccc2C)c1	5981732	CDYMWYJNTFRUFQ-CXUHLZMHSA-N	314.439	3.794	30	50	DHEA	
C=CCCC[C@H]1C[C@@H]1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	43761580	LVHNROBLVJHWKA-AWOYWQDDSA-N	318.333	3.893	30	50	DHEA	
CCCCCCCCN[C@H](C)CS(=O)(=O)c1ccccc1	102265349	VINZQLMTHMUDHZ-MRXNPFEDSA-N	311.491	3.799	30	50	DHEA	
O/N=C1\c2ccccc2/C(=N/O)[C@@H]1c1cccc2ccccc12	252320719	PVMKFHVJUDWPHH-DSRNDFOZSA-N	302.333	3.994	30	50	DHEA	
CSC[C@@H](C)C(O)=NNc1ncnc(Cl)c1C(C)C	328599427	RUWNHPOIEFJFJM-MRVPVSSYSA-N	302.831	3.536	30	50	DHEA	
CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)C2[C@@H]3CCCC[C@@H]23)cn1	330333753	QBYRDXFPGOJMEA-PNBKFKSVSA-N	317.433	3.516	30	50	DHEA	
CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C[C@@H](C)C#N)C1CC1	338390314	WAEHBGGADQNKJM-ZDUSSCGKSA-N	317.389	3.506	30	50	DHEA	
C=CCSc1nc2ccccc2c(=O)n1Cc1ccccc1	2179073	BGMOSJVMURGNAV-UHFFFAOYSA-N	308.406	3.723	30	50	DHEA	
COc1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1OC	4570323	UVQJTAMSILJUBR-UHFFFAOYSA-N	316.382	3.506	30	50	DHEA	
C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CC#N)cc1	12380799	OYAYKCGTRGENPP-LBPRGKRZSA-N	314.772	3.812	30	50	DHEA	
Cc1ccc(CN2CCN(/N=C/c3ccc(C)s3)CC2)cc1	19791060	DZKIWPFVEPUDEA-CPNJWEJPSA-N	313.470	3.517	30	50	DHEA	
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Br)cc2)C1	116800501	SCTSVTPPIYHASO-IAQYHMDHSA-N	321.218	3.651	30	50	DHEA	
COc1ccc(/C=N/n2c(-c3ccccc3C)n[nH]c2=S)cc1	1293721	NCVXDJJOSSDVGE-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
C(=C/c1ccccc1)\C=N\Nc1nnc2c(n1)[nH]c1ccccc12	7016554	GBIAKDOZNHTLDL-YKIVCEQRSA-N	314.352	3.617	30	50	DHEA	
CN1C(=O)c2ccccc2[C@H]1[C@H]1CCCc2ccccc2/C1=N/O	102314326	YCMCSQQNSJVIAA-XHRKXTGLSA-N	320.392	3.644	30	50	DHEA	
CC(C)c1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1	238882265	CZDOZBKVEURNLN-UHFFFAOYSA-N	321.468	3.962	30	50	DHEA	
CCCn1c(/C(O)=N/[C@@H](CO)C(C)(C)C)cc2ccccc21	328591639	DUCYJCMJJMWPGO-INIZCTEOSA-N	302.418	3.763	30	50	DHEA	
N#CCN(C(=O)c1cc(Cl)nc(Cl)c1)c1cccc(F)c1	1875257986	IYETZDFDVNNPBP-UHFFFAOYSA-N	324.142	3.698	30	50	DHEA	
C/C(=C\c1ccc(Cl)cc1)C(=O)c1c(C)cc(C)[nH]c1=O	4953391	SVHVJNCNQRKABL-PKNBQFBNSA-N	301.773	3.931	30	50	DHEA	
COc1cc(OC)c(/N=C/c2ccc3c(c2)OCO3)cc1Cl	18089855	WERHNGROOIVTDA-QGMBQPNBSA-N	319.744	3.837	30	50	DHEA	
O=[N+]([O-])c1ccc(/C=N/Nc2nc3ccccc3s2)s1	5176189	RNCBOSXSWKARLU-NTUHNPAUSA-N	304.356	3.712	30	50	DHEA	
O=C1N/C(=N\c2ccccc2Cl)S[C@H]1Cc1ccccc1	5650023	INUNSZMUASZIFL-AWEZNQCLSA-N	316.813	3.802	30	50	DHEA	
C=CCc1cc(C)ccc1OCCCN1C[C@@H](C)O[C@H](C)C1	20167110	IJMONJPOIKUJHI-IAGOWNOFSA-N	303.446	3.602	30	50	DHEA	
COC(=O)[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)C(C)C	21301253	ZQHINOUCNQKQEV-IBGZPJMESA-N	322.408	3.512	30	50	DHEA	in-vitro
O=C1C=C(NCc2ccc3c(c2)OCO3)C[C@@H](c2ccccc2)C1	100618615	ADNBYNXCQXXKSF-MRXNPFEDSA-N	321.376	3.536	30	50	DHEA	
N#C[C@@H]1C[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]12	216174016	SQQCPUXEABHILA-YTQUADARSA-N	300.361	3.809	30	50	DHEA	
Cc1ccc(-c2nnc(S)n2N=Cc2ccccc2C)cc1	252429338	FCVVOQKNBJWYDN-UHFFFAOYSA-N	308.410	3.733	30	50	DHEA	
N#Cc1cc(C(=O)N2CCC3(CCc4ccccc4C3)CC2)co1	869124401	BRKREIUAYZTMMG-UHFFFAOYSA-N	320.392	3.563	30	50	DHEA	
N#Cc1cccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c1	1857688286	AOODQPPYRSYTPA-RBUKOAKNSA-N	320.440	3.686	30	50	DHEA	
CC(=O)Nc1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1	3081005	DGTLBPOBSFXXAK-UHFFFAOYSA-N	303.177	3.934	30	50	DHEA	
CCOc1ccc(C(=O)/C=C/c2ccc(C(=O)OC)cc2)cc1	4363313	JIZAYFYVIYQOBI-AWNIVKPZSA-N	310.349	3.768	30	50	DHEA	
C=CCN(Cc1ccc(C)s1)C(=O)c1c(Cl)cnn1CC	55414121	QYAWTKQNTUOAOY-UHFFFAOYSA-N	323.849	3.755	30	50	DHEA	
CCOc1ccccc1CN(CC)C(=O)c1ccccc1C#N	55576320	STWVGUNNZFUZPJ-UHFFFAOYSA-N	308.381	3.619	30	50	DHEA	
N#Cc1cccnc1NCc1cccnc1N1CCCCCCC1	67649004	JPGPGHGYAVVVRZ-UHFFFAOYSA-N	321.428	3.731	30	50	DHEA	
C=CCn1c(S)nnc1[C@H](C)Oc1cc(C)ccc1Cl	2536744	HTTBKLCJHKKEFW-JTQLQIEISA-N	309.822	3.855	30	50	DHEA	
C#CCSc1nc2ccccc2n1C(=O)/C=C/c1ccco1	12561887	BJCKBSKPTCQJRQ-MDZDMXLPSA-N	308.362	3.708	30	50	DHEA	
N#C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccncc2)s1	1875270409	IPNIRUQQIPKROY-KBPBESRZSA-N	311.410	3.622	30	50	DHEA	
CC(F)(F)c1ccnc(Nc2ccc3[nH]cc(CC#N)c3c2)n1	2325853882	FTLNOIKQTAZUTQ-UHFFFAOYSA-N	313.311	3.879	30	50	DHEA	
O[C@](C#CCN1CCCCC1)(c1ccccc1)c1cccc(F)c1	4851356	OJRQBSNCRLEJGU-OAQYLSRUSA-N	323.411	3.551	30	50	DHEA	
Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(O)cc2)S1	5376319	YDXUQFBUJVSXOF-GDNBJRDFSA-N	310.378	3.592	30	50	DHEA	
CC1(C)OB(c2ccc(Oc3ccccc3)cc2F)OC1(C)C	207142707	HFMYZUIMVHTPNS-UHFFFAOYSA-N	314.165	3.917	30	50	DHEA	
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(NC(C)=O)cc1)C2	100255049	QCKGDCFQWMGBIJ-IFXJQAMLSA-N	312.413	3.966	30	50	DHEA	
CC(C)(C)C1CCC(CC(=O)Nc2ccn(CCC#N)n2)CC1	152921655	XCXHHACVOBMARR-UHFFFAOYSA-N	316.449	3.978	30	50	DHEA	
C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C/C1=N\N	253500285	WYIOTJMJDQSAEQ-HYZRWHTESA-N	318.505	3.951	30	50	DHEA	
Cc1ccc(N/N=C(/C#N)c2nc3ccccc3[nH]2)cc1Cl	5061331	ALNIVIBPIVBYCD-JCMHNJIXSA-N	309.760	3.865	30	50	DHEA	
Cc1n[nH]c2c1[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2	18140575	FCMYFDMCVMPKBP-HNNXBMFYSA-N	313.426	3.980	30	50	DHEA	
CCc1cc(C#N)ccc1NC(=O)N1CCC[C@H](CSC)C1	95531241	HGUPHNLEIRFCEQ-AWEZNQCLSA-N	317.458	3.728	30	50	DHEA	
CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccc(Cl)cc1	100492396	FFLRFROZOLZHMS-LBPRGKRZSA-N	303.789	3.587	30	50	DHEA	
C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(Br)cc2)C1	116800507	SCTSVTPPIYHASO-NHYWBVRUSA-N	321.218	3.651	30	50	DHEA	
C=CC[C@@]1(NCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1	261507063	DWUHKFZKCBRMNP-LJQANCHMSA-N	316.445	3.732	30	50	DHEA	
CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2C#N)cc1	952871828	CTWGZUKQBYVFBX-UHFFFAOYSA-N	321.380	3.795	30	50	DHEA	
Cc1cc(NCc2ccccn2)n2c(nc3ccccc32)c1C#N	91797	YYBWUWQPGNVYLS-UHFFFAOYSA-N	313.364	3.675	30	50	DHEA	
C=CCc1ccc(OCCCN2CCC[C@H](C)C2)c(OC)c1	2823358	YIWVKPIIIXLBSB-INIZCTEOSA-N	303.446	3.925	30	50	DHEA	
C=CC[C@@H]1Nc2ccccc2[C@@H]1C[C@H](N)C(O)(CC=C)CC=C	5119960	SODVTAFKCBYHBN-LNLFQRSKSA-N	312.457	3.741	30	50	DHEA	
CCOc1ccccc1C=Nn1c(S)nnc1-c1ccccc1	244641255	GMIGESWIGMCNJN-UHFFFAOYSA-N	324.409	3.515	30	50	DHEA	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\O)C2=O	254711254	LAAMRAVHROVLSR-ITMPCRFMSA-N	316.441	3.931	30	50	DHEA	
C[C@@H]1CCc2cc(C#N)c(NC[C@@H]3CCCCS3)nc2C1	1875336927	KFYCKZQGHDFEKZ-DOMZBBRYSA-N	301.459	3.776	30	50	DHEA	
Fc1ccccc1-c1nnc(S)n1/N=C/C=C/c1ccco1	6102771	UFXVIXBQKSDPRK-AHEHSYJASA-N	314.345	3.513	30	50	DHEA	
COc1ccc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)cc1	12436527	RRGWEXNQPGWEPV-GDNBJRDFSA-N	313.740	3.693	30	50	DHEA	
C(#Cc1ccccc1)CN(C[C@@H]1CCCN2CCCC[C@H]12)C1CC1	63869697	ZIJVFHDHQOFJFA-RBBKRZOGSA-N	322.496	3.767	30	50	DHEA	
N#Cc1cccnc1Oc1cc(F)c(CN2CCCC2)c(F)c1	67654520	WFEAAEFEUVCUHX-UHFFFAOYSA-N	315.323	3.620	30	50	DHEA	
CCCCCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1	202939279	TXGAKSQNBPROMR-UHFFFAOYSA-N	304.239	3.945	30	50	DHEA	in-vitro
C=CCn1ncc(CN(CC#Cc2ccccc2)CCC)c1C	55404122	VMSCHAYTZOZNNY-UHFFFAOYSA-N	307.441	3.641	30	50	DHEA	
COc1cccc([C@H]2CCCCN2C(=O)c2ccccc2C#N)c1	77420998	LMBIAECMYHRNRM-LJQANCHMSA-N	320.392	3.934	30	50	DHEA	
Cc1c(C#N)cccc1NC(=O)N1Cc2ccccc2O[C@H](C)C1	368394752	WTPXBJRLURLQHJ-CYBMUJFWSA-N	321.380	3.682	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2nc([C@@H](C)CC)cs2)N=N1	2325892737	ZQBUTOWYKDNKRF-NSHDSACASA-N	304.419	3.951	30	50	DHEA	
N#Cc1ccccc1COc1c(Cl)cc(CO)cc1Cl	470931	WTJUFEJHHHAJKG-UHFFFAOYSA-N	308.164	3.936	30	50	DHEA	
COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(OC)c1OC	4252641	OSPIHNUGEOGEEL-JXMROGBWSA-N	312.365	3.917	30	50	DHEA	
CCCCCCCCCCCCCC(=O)N(CCO)CCO	85964494	SKDZEPBJPGSFHS-UHFFFAOYSA-N	315.498	3.501	30	50	DHEA	
Cc1ccc(OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1	169822416	VEPULHNEQKEFFW-UHFFFAOYSA-N	324.229	3.873	30	50	DHEA	in-vitro
CC1=NOC(=O)/C1=C/c1ccccc1OCc1ccc(C)cc1	252480210	BYCYCWQVONACFJ-GZTJUZNOSA-N	307.349	3.890	30	50	DHEA	
Cc1ccc([C@H](F)CNC2CC(C#N)(c3ccccn3)C2)cc1C	2325777784	DGFMGZNCFYRMRZ-QPIRBTGLSA-N	323.415	3.923	30	50	DHEA	
Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1ccccc1	204666013	OVDZZKAGMVSQSX-UHFFFAOYSA-N	324.229	3.873	30	50	DHEA	
CC(O)=Nc1ccn([C@@H]2CCN(C[C@@H]3CCCC[C@H]3C)C2)n1	328628997	OIMFXVRWMRDMOP-VNQPRFMTSA-N	304.438	3.564	30	50	DHEA	
Cc1ccc([C@@H]2C[C@H](C(F)F)n3ncc(C#N)c3N2)cc1C	2782741	BVCNAZAIFQRDMG-UONOGXRCSA-N	302.328	3.735	30	50	DHEA	
N#C[C@H](c1ccccc1)c1cn2cc(Br)ccc2n1	13301141	UVYVHCOUSZXMNQ-CYBMUJFWSA-N	312.170	3.752	30	50	DHEA	
C=CCc1ccc(OCCN2CCc3ccccc3C2)c(OC)c1	20322939	VKDCAYYWUZXOHG-UHFFFAOYSA-N	323.436	3.861	30	50	DHEA	
Cc1ccc(/C=C/C(=O)c2c(C)nn3c4ccccc4n(C)c23)o1	4891375	LIRBIXDEUHXFLX-ZHACJKMWSA-N	319.364	3.932	30	50	DHEA	
Cc1cc(C(=O)Nc2ccc(F)cc2C#N)nc2ccccc12	177595050	XGTGBFGCNOAGTD-UHFFFAOYSA-N	305.312	3.806	30	50	DHEA	
Cc1nsc(Sc2n[nH]c(CCC3CCCC3)n2)c1C#N	329329709	LFWQVRWYEMSOFZ-UHFFFAOYSA-N	319.459	3.715	30	50	DHEA	
C=CCn1c(SCCC)nc2sc3c(c2c1=O)CCC3	2376060	GXQNLPZYQLVVQJ-UHFFFAOYSA-N	306.456	3.635	30	50	DHEA	
COc1cccc([C@H]2CCCN2C(=O)c2ccccc2C#N)c1	77455057	NKQJTIWMWAGMGB-GOSISDBHSA-N	306.365	3.544	30	50	DHEA	
CCCSc1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1	299785004	PVNVZMVVSBTGFI-CYBMUJFWSA-N	303.431	3.956	30	50	DHEA	
CC1(C)OB(c2cccc(C(F)(F)C(F)(F)F)c2)OC1(C)C	757124088	ZNGCIIFZQTXCJQ-UHFFFAOYSA-N	322.082	3.640	30	50	DHEA	
C=CCSC1=N/C(=C\c2cccc(OC(C)=O)c2)C(=O)S1	3461262	QKLUMRQFQDBWEK-LCYFTJDESA-N	319.407	3.501	30	50	DHEA	
CCc1ccc(/C=N\N2CCN(Cc3ccc(C)cc3)CC2)cc1	13897621	QIIFZNGVBBGRRC-JWGURIENSA-N	321.468	3.709	30	50	DHEA	
Cc1ccc(C)c(-n2c(N)c(C#N)c3nc4ccccc4nc32)c1	143607	HKHWTEWSBQXACF-UHFFFAOYSA-N	313.364	3.644	30	50	DHEA	
Cc1cccc(C(=O)O/N=C(/c2ccccc2)c2ccncc2)c1	208829	DVXJGPGUEQIUTM-QOCHGBHMSA-N	316.360	3.999	30	50	DHEA	
C=CCSc1nc(N)c2c3c(sc2n1)CO[C@H](C(C)C)C3	2302501	XFNPYORXNACZFD-JTQLQIEISA-N	321.471	3.649	30	50	DHEA	
C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C	238126064	CYDRNMYOBOWKOM-UHFFFAOYSA-N	323.242	3.597	30	50	DHEA	
C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Nc1ccc(OC)cc1OC	952961334	CIKCYYUJYZAACN-ZIAGYGMSSA-N	316.401	3.831	30	50	DHEA	
C=C(C)Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21	201084	NYDPWVVLWYHTGR-UHFFFAOYSA-N	319.408	3.585	30	50	DHEA	
C=CCC[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccco1	225633139	HFAWPFKHUHUHME-LSDHHAIUSA-N	320.433	3.886	30	50	DHEA	
CC(=O)c1nn(-c2ccc(F)cc2)c(-c2ccccc2)c1C#N	526056063	NOJTYXGIZBJFOR-UHFFFAOYSA-N	305.312	3.753	30	50	DHEA	
C=CCOc1cccc(C(=O)N2CCC[C@H]2c2cc(C)no2)c1	952961361	LEKYBUIQSDRNJL-INIZCTEOSA-N	312.369	3.525	30	50	DHEA	
CCCCCCCCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12	1666482	LEYORBXXAFPSGY-KRWDZBQOSA-N	316.445	3.941	30	50	DHEA	in-vitro
Cc1ccc(-c2nnc(S)n2N=C/C=C/c2ccco2)cc1	252429311	BNASEDGWYLQEHM-QHRYSZJBSA-N	310.382	3.683	30	50	DHEA	
O=C(C[n+]1ccc(Cc2ccccc2)cc1)c1ccc(F)cc1	3136978	ADZOHCMIVAJSGC-UHFFFAOYSA-N	306.360	3.587	30	50	DHEA	
Cc1cc(F)cc2c(=N[C@@H](C)c3cccc(O)c3)c(C#N)c[nH]c12	360984023	CLCPYRYGHOQKJW-LBPRGKRZSA-N	321.355	3.855	30	50	DHEA	
C=C(C)[C@H]1CCC(C)=C1COC[C@@H](O)COc1ccccc1	22228927	MFDUHKNJKVNWPB-SJLPKXTDSA-N	302.414	3.746	30	50	DHEA	
N#Cc1ccc(-c2cn3cc(Br)cc(F)c3n2)cc1	1775955604	KCBWVCVEAHAYLP-UHFFFAOYSA-N	316.133	3.775	30	50	DHEA	
CCOC(=O)[C@H](C#N)[C@@]1(Cc2ccccc2)CCOC(C)(C)C1	206881	IVKJJYPTGRKTGJ-QFBILLFUSA-N	315.413	3.507	30	50	DHEA	
N#Cc1ccc(Oc2cc(F)c(CN3CCCC3)c(F)c2)nc1	67847613	KASZKSVXEJWLKZ-UHFFFAOYSA-N	315.323	3.620	30	50	DHEA	
Cc1cc(NCc2ccncc2)n2c(nc3ccccc32)c1C#N	406776	MNLOFDYNSZHVRP-UHFFFAOYSA-N	313.364	3.675	30	50	DHEA	
CCOc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1	4473133	FBLJKAQSLLTBRQ-YRNVUSSQSA-N	312.365	3.999	30	50	DHEA	
COc1ccccc1/C=N/NC(=S)Nc1cccc(Cl)c1	4360404	NRLMZWJEEOFFPF-LICLKQGHSA-N	319.817	3.669	30	50	DHEA	
C#CCC[C@@H](OC(=O)c1cccc2ncccc12)c1ccccn1	2325854453	FDBATKYXRRHMQZ-LJQANCHMSA-N	316.360	3.941	30	50	DHEA	
C=CCn1c(N)c(C(=O)Nc2ccc(C)cc2)sc1=S	203979	QQXHSPHUXNQPMV-UHFFFAOYSA-N	305.428	3.608	30	50	DHEA	aggregator
C#CCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O	12342681	AICBXAZWZAARDN-IZZDOVSWSA-N	312.177	3.663	30	50	DHEA	
Cc1csc(=S)n1OC(=O)C1=C[C@@]2(C)CC[C@H]1C2(C)C	101082749	OKWVEHOBPFNTKN-IAQYHMDHSA-N	309.456	3.925	30	50	DHEA	
N#Cc1cccc(Br)c1N1CCCC(F)(F)C1	169725845	UGFRHCONAZYRJC-UHFFFAOYSA-N	301.134	3.556	30	50	DHEA	
C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2Cc2ccc(C#N)cc2)C1	242302299	YREPJBDPCOHFDG-XCLNPWKQSA-N	312.457	3.710	30	50	DHEA	
C[C@@H](/N=C(/O)c1cc2ncccn2n1)c1cc2ccccc2o1	328592607	OBDHNVSAXGXWBC-LLVKDONJSA-N	306.325	3.541	30	50	DHEA	
N#Cc1ccccc1-c1ccc(CN2CCO[C@H]3CCCC[C@@H]32)o1	1565528619	GPSHTFNVTVGAML-ICSRJNTNSA-N	322.408	3.962	30	50	DHEA	
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(C#N)nc1	1772572613	HOKFGSASYKZXIY-UHFFFAOYSA-N	319.361	3.630	30	50	DHEA	
Cc1ccc2occ(/C=C/C(=O)c3ccccc3O)c(=O)c2c1	4348898	OIPZJRRDLVKIAC-BQYQJAHWSA-N	306.317	3.703	30	50	DHEA	
C=CCC1(CC=C)CCCCN1Cc1ncccc1C(=O)O	65470336	LXZBHJSVSWTJRG-UHFFFAOYSA-N	300.402	3.657	30	50	DHEA	
Cc1nsc(NC(=O)N[C@@H](C)c2ccccc2Cl)c1C#N	241775884	RPWXXAFLKPVSLA-QMMMGPOBSA-N	320.805	3.859	30	50	DHEA	
CN1CC[C@@H](C/N=C(/O)CC2=CCCCC2)[C@@H]1c1cccnc1	328633391	SPDBJDWFGFPQNK-HKUYNNGSSA-N	313.445	3.921	30	50	DHEA	
N#Cc1cnccc1OCC(=O)c1ccc(-c2ccccc2)cc1	2325855061	GNDYPYJHXXLKNM-UHFFFAOYSA-N	314.344	3.882	30	50	DHEA	
C=CCn1c(CCc2ccc(OC(C)C)cc2)n[nH]c1=S	1247425	QEYIREPIRMQCDM-UHFFFAOYSA-N	303.431	3.699	30	50	DHEA	
COc1cc(/C=N\Nc2ccccc2Cl)ccc1OC(C)=O	32465099	QVSIPWQZIMPALV-ZDLGFXPLSA-N	318.760	3.720	30	50	DHEA	
CC1(C)CC(=O)C(Br)=C(NCc2ccccc2)C1	100739704	PSHKRBZGVFBXOQ-UHFFFAOYSA-N	308.219	3.772	30	50	DHEA	
C[C@@H](C#N)Oc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1	171541559	GJFZXVIFXRXGSE-CJAAZZPWSA-N	323.323	3.775	30	50	DHEA	
CC[N@+](C)(CC#C[C@@](O)(c1ccccc1)C1CCCC1)C(C)C	239347229	MMJITLAKONISGX-FGZHOGPDSA-N	314.493	3.943	30	50	DHEA	
CC(=O)[C@H]1C(=O)c2ccccc2/C1=N\c1ccc2cccnc2c1	101405218	JAEUEFSJONCWRU-QTTZHIOCSA-N	314.344	3.757	30	50	DHEA	
O=C(/C=C(\c1ccc(Cl)cc1)n1cncn1)c1ccccc1	16667905	JFRRYEZHWJGXNF-MHWRWJLKSA-N	309.756	3.704	30	50	DHEA	
Cc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1	4611302	RSDQICZCBZPBFP-VXLYETTFSA-N	316.368	3.569	30	50	DHEA	
C[C@H]1CCCCN1CCC(=O)Nc1ccc(C(C)(C)C#N)cc1	253405275	JZBPYNCJXLLGOO-HNNXBMFYSA-N	313.445	3.691	30	50	DHEA	
CCCc1cc(C(=O)Nc2sc(C)c(CC)c2C#N)no1	2498068	NFGZXLFTJJKPHE-UHFFFAOYSA-N	303.387	3.683	30	50	DHEA	aggregator
C=CCc1cccc(CNc2ccc(C(=O)OCC)cc2)c1O	4810820	IVUBODSPMJIOHP-UHFFFAOYSA-N	311.381	3.910	30	50	DHEA	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2Cc2ccc(C#N)cc2)C1	242302298	YREPJBDPCOHFDG-TTYHFUOFSA-N	312.457	3.710	30	50	DHEA	
Cc1cc(C)c(N=C(O)NC(C)(C)c2nccs2)c(C)n1	331224945	BZDKZJLEOLDBPB-UHFFFAOYSA-N	304.419	3.534	30	50	DHEA	
Cc1cc(F)cc2c(=N[C@H](C)c3cccc(O)c3)c(C#N)c[nH]c12	360984020	CLCPYRYGHOQKJW-GFCCVEGCSA-N	321.355	3.855	30	50	DHEA	
Cc1ccn2cc(CSc3nc(C)cc(C)c3C#N)nc2c1	1848444149	QQIPIKZDZXPHSP-UHFFFAOYSA-N	308.410	3.819	30	50	DHEA	
C=CCC[C@@H](CN(C)Cc1cccnc1)Oc1cc(C)ccn1	67514741	YXCIOAAKFVDFKL-SFHVURJKSA-N	311.429	3.631	30	50	DHEA	
CCc1cc(C#N)ccc1NC(=O)N1CCC[C@@H](CSC)C1	95531242	HGUPHNLEIRFCEQ-CQSZACIVSA-N	317.458	3.728	30	50	DHEA	
C=C(C)COc1cccc(C(=O)N(C)[C@H](C)c2nccs2)c1	55099518	KFRLBERDMMOBMU-CYBMUJFWSA-N	316.426	3.931	30	50	DHEA	
CC1(C)OB(c2cc(Cl)c(Cl)c(Cl)c2)OC1(C)C	169904407	OTPVENHYVDCFAO-UHFFFAOYSA-N	307.413	3.946	30	50	DHEA	in-vitro
C=C1[C@@H](COS(=O)(=O)c2ccc(C)cc2)C[C@H]2C[C@H]1C2(C)C	216283726	GSEOVVUFELTJNF-HLLBOEOZSA-N	320.454	3.939	30	50	DHEA	
C[C@@H]1CC[C@@H](CCC(=O)N[C@H](C#N)c2c(F)cccc2Cl)O1	242167622	WYAMGMMXIPFYCJ-UHIISALHSA-N	324.783	3.508	30	50	DHEA	
C=CCn1c(N)c(-c2nc3ccccc3n2C)sc1=S	466064	CRWXYROJUWZFOO-UHFFFAOYSA-N	302.428	3.601	30	50	DHEA	
COc1ccc(/C=N/n2c(-c3ccc(C)cc3)n[nH]c2=S)cc1	1247712	VWVIYTHIOOHCDV-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
O=C1C[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	4843975	VZJKCTRPMRVUEA-IRXDYDNUSA-N	317.388	3.691	30	50	DHEA	
FC(F)(F)c1cnc(N/N=C/c2ccccn2)c(Cl)c1	5521849	SDLQFHSHFKLHJP-FBCYGCLPSA-N	300.671	3.595	30	50	DHEA	
CN1C=CC(=C(O)N=N/C=C2/C(=O)C=Cc3ccccc32)C=C1	409415865	SJLUSMYPTLDODI-ZQFDHWOPSA-N	305.337	3.818	30	50	DHEA	
C=CC[C@@H]1c2cccc(C(=O)O)c2C(=O)N1c1ccc(F)cc1	209379	ZJSSRSPXIHWELZ-OAHLLOKOSA-N	311.312	3.802	30	50	DHEA	
COc1ccccc1/C=N/n1c(C2CCCCC2)n[nH]c1=S	1261214	BXRDXSDYRRFJAT-GZTJUZNOSA-N	316.430	3.879	30	50	DHEA	
COc1cc(/C=N/Nc2ncc(Cl)cc2Cl)ccc1O	4132080	DGCBYXRSCWZVJV-UBKPWBPPSA-N	312.156	3.549	30	50	DHEA	
COc1ccc(C(=O)/C=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1	5073159	ARXMHFDSHIMDCX-YCRREMRBSA-N	313.309	3.508	30	50	DHEA	
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C(C)C)cc1	10451508	XYUKEFKNKGVMMI-UHFFFAOYSA-N	322.408	3.978	30	50	DHEA	
Cc1cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)co1	189958479	NEKIGZACHLAGCR-UHFFFAOYSA-N	312.413	3.913	30	50	DHEA	
C=C(C)CN(C)Cc1csc(-c2ccc(C(=O)O)cc2)n1	652430513	JIGQBLUBGXUGOT-UHFFFAOYSA-N	302.399	3.516	30	50	DHEA	
COc1cc(/C=C/C(=O)c2cccs2)cc(OC)c1OC	4724572	HHSILLUWBYCFJF-VOTSOKGWSA-N	304.367	3.670	30	50	DHEA	
CCOc1ccccc1/C=N\N1CCN(c2ccc(C)cc2)CC1	15685268	MFONMHUXVXEOOA-PGMHBOJBSA-N	323.440	3.550	30	50	DHEA	
CCCCCCCCOC(c1nccn1C)c1nccn1C	80530471	PIDRVLYMNGNSPO-UHFFFAOYSA-N	304.438	3.620	30	50	DHEA	
CC(C)c1ccc(CCC(=O)N(CC#N)c2ccccn2)cc1	892464785	JNDHZJOTCHBOCR-UHFFFAOYSA-N	307.397	3.694	30	50	DHEA	
C#CCCC1(CCC(=O)N2CCC[C@H](Cc3ccccc3)C2)N=N1	952880798	IJTJUSZRPIJMMM-GOSISDBHSA-N	323.440	3.823	30	50	DHEA	
CC(C)C[N@@]1C[C@@H]1COc1ccc(-c2ccc(C#N)cc2)cc1	1875385606	XISVYCWPFHUIAU-KNQAVFIVSA-N	306.409	3.944	30	50	DHEA	
C=C(C)COc1cccc(C(=O)N(C)CCC[C@H]2CCCO2)c1	55052662	URAVQOBZXPCGBY-KRWDZBQOSA-N	317.429	3.673	30	50	DHEA	
N#CC1(C#N)[C@H]2CC=CC(c3ccccc3)=C[C@@H](C2)C1(C#N)C#N	102187596	PPWPBWSFYGTYEK-ROUUACIJSA-N	310.360	3.733	30	50	DHEA	
CC(C)(/C(O)=N/CC1(Sc2ccccc2)CC1)c1cnc[nH]1	328594517	PXJNGJNJGPZIFD-UHFFFAOYSA-N	315.442	3.969	30	50	DHEA	
CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)C2=CCCCCC2)cn1	328636616	VPIYJVJDLBKQBV-DLBZAZTESA-N	317.433	3.970	30	50	DHEA	
C[C@H]1Cc2cc(-n3ccnc3-c3ccccc3C#N)ccc2O1	1772818420	DJWLNKKTNGMZDU-ZDUSSCGKSA-N	301.349	3.734	30	50	DHEA	
C[C@@H](NC(=O)N[C@H]1Cc2ccccc2[C@H]1C)c1cccc(C#N)c1	1857530976	KGSGWAOHFYNNNH-LPMFXHHGSA-N	319.408	3.647	30	50	DHEA	
CCOC(=O)/C(=N/c1ccc(OC)cc1)c1ccc(F)cc1	1875321141	VZXLVVDAUYWEEO-KNTRCKAVSA-N	301.317	3.518	30	50	DHEA	
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC1	45593	AKPQEMABJFPFDB-UHFFFAOYSA-N	304.397	3.830	30	50	DHEA	
C=C(C)COc1ccccc1NC(=O)Cc1ccc(OC)cc1	9822515	OGWPIPBIZBNJEH-UHFFFAOYSA-N	311.381	3.831	30	50	DHEA	
C=CCc1cc(-c2cc(C3CC3)nc(N)c2C#N)cc(OC)c1O	67741377	GJPOREPQTGHEKR-UHFFFAOYSA-N	321.380	3.523	30	50	DHEA	
CC#CC(=O)N[C@@H](c1cccc(OC)c1)c1ccccc1Cl	408515903	IKQNZGKFQFWWLF-SFHVURJKSA-N	313.784	3.578	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2cccc(Cl)n2)cc1	1875387063	MAUMLDROSCBTET-MRXNPFEDSA-N	310.784	3.694	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]21C	9231480	IMSSROKUHAOUJS-QSUVIHHLSA-N	310.437	3.916	30	50	DHEA	biogenic,in-vitro
C=CCC(C)(C)CN1C[C@H](Cc2ccc3ccccc3n2)[C@@H](O)C1	1616079769	JMBBIIJHLQCUAN-PXNSSMCTSA-N	324.468	3.672	30	50	DHEA	
C=CCOC(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl	2847283	MNGQYAHPVQYSTH-UHFFFAOYSA-N	316.184	3.831	30	50	DHEA	
CN(C)/C=C/C(=O)c1ccccc1OCc1cnc(Cl)s1	4091819	XCXDDWYVBPSBBZ-BQYQJAHWSA-N	322.817	3.634	30	50	DHEA	
O=C1C[C@@H](c2ccccc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	4916116	VZJIQQCEQRDRTH-KGLIPLIRSA-N	323.417	3.752	30	50	DHEA	
C/C(=N\Nc1nc(C)cc(C)n1)c1ccc(Br)cc1	15919462	MFQPUFGHYQLDRC-WOJGMQOQSA-N	319.206	3.692	30	50	DHEA	
Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)ccc1Cl	4870129	ARRPTJQKEHAOQK-LBPRGKRZSA-N	314.772	3.926	30	50	DHEA	
C=CCc1cc(Cl)ccc1OCCOCCNCCCC	6310602	BXMLWIMBWLRJBP-UHFFFAOYSA-N	311.853	3.854	30	50	DHEA	
N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H](C(F)(F)F)C1	172277263	VKPKCAUIQDUSSL-VIFPVBQESA-N	323.240	3.751	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C	257355925	DPFJWSXDCNAYDI-SQDPYLFBSA-N	310.437	3.659	30	50	DHEA	
Cc1cccc(NC(=S)N/N=C/c2c[nH]c3ccccc23)c1	8685046	CSXGKNYVJLTPOJ-YBFXNURJSA-N	308.410	3.797	30	50	DHEA	
CCOc1ccc(CN2CCC(C#N)CC2)c(OCC)c1C	215481252	KVVPKFCEACKRMU-UHFFFAOYSA-N	302.418	3.528	30	50	DHEA	
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N/N	252694352	JMBJWQVSQZGGFA-XAFMKBGRSA-N	304.478	3.705	30	50	DHEA	biogenic
N#Cc1c2c(n3cc4ccccc4cc13)C(=O)c1ccccc1C2=O	78906	CQBUZFIGEZJCKR-UHFFFAOYSA-N	322.323	3.740	30	50	DHEA	
C=CCc1cc(OC)ccc1OCCCSc1ncccn1	5013348	IOQIHPHSLUINKM-UHFFFAOYSA-N	316.426	3.775	30	50	DHEA	
CC(C)N(CCCCCC/N=C(/O)OC(C)(C)C)CC(=N)O	328596074	QUQBWIFTDYDIMF-UHFFFAOYSA-N	315.458	3.522	30	50	DHEA	
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(CC#N)cc1	37222	ZAKSWFOOSPCGQJ-UHFFFAOYSA-N	314.772	3.732	30	50	DHEA	
CCc1n[nH]c(=S)n1/N=C/c1ccc(Cl)c(Cl)c1	5686829	CYRYSZICRRDDKV-MKMNVTDBSA-N	301.202	3.692	30	50	DHEA	
Cn1ccc(-c2cc(-c3c[nH]c4ccccc34)c(C#N)c(N)n2)c1	67712841	VYELSSACVYIVFT-UHFFFAOYSA-N	313.364	3.689	30	50	DHEA	
N#Cc1cccc(NC(=O)N2CCn3c(cc4ccccc43)C2)c1	359435430	ZRRUYQDKSMDRCD-UHFFFAOYSA-N	316.364	3.561	30	50	DHEA	
CC(C)(C)n1cc(C#N)c(NC(=O)c2sccc2C2CC2)n1	617843242	IYFKUJLYAQJQPR-UHFFFAOYSA-N	314.414	3.701	30	50	DHEA	
O=[N+]([O-])c1ccc(/C=N/Nc2ncc(Cl)cc2Cl)cc1	4499633	PAQVKVMVGTZUOM-OMCISZLKSA-N	311.128	3.743	30	50	DHEA	
CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N[C@@H]2c1cccnc1	18244358	CSPPQBBNJPWSMK-QGZVFWFLSA-N	320.396	3.699	30	50	DHEA	
C[C@H]1CCc2cc(C#N)c(NC[C@@H]3CCCCS3)nc2C1	1875336930	KFYCKZQGHDFEKZ-WFASDCNBSA-N	301.459	3.776	30	50	DHEA	
Cc1cc(C)c(C(=O)C[n+]2cccc(Br)c2)c(C)c1	1764043	COGNANLAKKCYIO-UHFFFAOYSA-N	319.222	3.545	30	50	DHEA	
O/N=C/c1ccc(OCc2ccccc2F)c(Br)c1	6926920	ONRUFCXXFGVRQJ-CAOOACKPSA-N	324.149	3.975	30	50	DHEA	
CC1(C)CCCN(C(=O)c2cc(C(F)(F)F)cs2)[C@H]1C#N	1875369150	UHPRKWSNNHJPBS-NSHDSACASA-N	316.348	3.921	30	50	DHEA	
Cc1nc(-c2ccccc2)nc(N/N=C/c2ccncc2)c1C	4947147	KMCSGZUIGQRXFW-UDWIEESQSA-N	303.369	3.601	30	50	DHEA	
N#C[C@@H](c1ccccc1)c1ccc(I)cc1	95221336	FQBKDUCJNVVOES-AWEZNQCLSA-N	319.145	3.947	30	50	DHEA	
C=CC[C@H](C)NC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1	253392958	MZMRFTQFZVLRBT-AWEZNQCLSA-N	324.428	3.973	30	50	DHEA	
C=C[C@@H]1CCN(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)C1	426377940	ILDRDMKVPUSWDO-SNVBAGLBSA-N	316.298	3.562	30	50	DHEA	
C=CCC(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1	12073978	YWKHGFIUSZWWTR-SFHVURJKSA-N	307.393	3.837	30	50	DHEA	
CCCO[C@@H]1CCCN(/C(O)=N/Cc2cscc2C)CC1	328587989	LEPLKHBRQHKGTM-OAHLLOKOSA-N	310.463	3.752	30	50	DHEA	
COc1cc2c(cc1-c1nc3ccccc3c(C)c1C#N)OCO2	2356165976	RYQBUSKCBMLXGV-UHFFFAOYSA-N	318.332	3.819	30	50	DHEA	
O=[N+]([O-])c1cc(/C=N/Nc2ccccc2[N+](=O)[O-])ccc1Cl	4578350	CHIIUGBFRQQYRI-OVCLIPMQSA-N	320.692	3.602	30	50	DHEA	
N#C[C@H]1C(O)=NC(=S)[C@@H](C#N)C12CCC(c1ccccc1)CC2	5946762	NJRIPSAZVRFOTK-QRHJNKNDSA-N	323.421	3.908	30	50	DHEA	
C=CCn1c([C@H](C)NC(=O)c2ccccc2)nc2ccccc21	200882	SKDCXCATBQHMRL-AWEZNQCLSA-N	305.381	3.713	30	50	DHEA	
C=CCc1c(C)nc(SC)nc1Nc1ccc(C(=O)O)cc1	243708	IMEKNUNTEWXQJG-UHFFFAOYSA-N	315.398	3.677	30	50	DHEA	
COc1ccc([C@@H]2CC(=O)C=C(NCCc3ccccc3)C2)cc1	307445	FNACEXBSAXQOQH-SFHVURJKSA-N	321.420	3.858	30	50	DHEA	
C=CCC[C@@H](NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccco1	170615977	WWYMIFUJPNLSQH-UONOGXRCSA-N	316.367	3.761	30	50	DHEA	
C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](O)CC[C@@]3(C)[C@@H]1/C(=N/N)C2	257345986	OACCTZFVZNCBCK-IONMRJIVSA-N	304.478	3.705	30	50	DHEA	
C#Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)nc2)cc1	1875387184	SPCYOWHYOWLWIA-INIZCTEOSA-N	310.784	3.694	30	50	DHEA	
CCCSC1=N/C(=C\c2ccc(C(=O)OC)cc2)C(=O)S1	4913241	CNPPBOTXEZVBPK-XFXZXTDPSA-N	321.423	3.587	30	50	DHEA	
Cc1noc(CCC(O)=Nc2ccc3ccc(Cl)cc3n2)n1	328589330	RGEXSCZSYHIVNP-UHFFFAOYSA-N	316.748	3.800	30	50	DHEA	
N#Cc1cnc2cnccc2c1NCCc1ccc(Cl)cc1	2325776979	USLYTXBDMVZABO-UHFFFAOYSA-N	308.772	3.809	30	50	DHEA	
Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)cc2)cc1	1241284	NGUKNPMXWACWRW-LICLKQGHSA-N	310.382	3.504	30	50	DHEA	
O=C(/C=C/c1ccccc1)CC(=O)c1cc(Cl)ccc1O	4919125	VRAXEZHPLYOLSF-SOFGYWHQSA-N	300.741	3.901	30	50	DHEA	
C=C(C)Cn1c(-c2ccccc2Br)n[nH]c1=S	6492945	GTSOPYOHTDNIDH-UHFFFAOYSA-N	310.220	3.946	30	50	DHEA	
C=CCC1(CC=C)CCCCN1C(=O)c1cc(CCC)nn1C	71747510	NLTOSROULLCXEY-UHFFFAOYSA-N	315.461	3.890	30	50	DHEA	
Cc1c(C#N)c(N2CCC3(CCCCO3)CC2)nc2ccccc12	882949257	IRRYESDLXPOLBG-UHFFFAOYSA-N	321.424	3.954	30	50	DHEA	
Cc1nn(C)c(CNc2ccc(C3CC3)c(C#N)c2)c1Cl	905417732	BGPJQXPMFNZXQO-UHFFFAOYSA-N	300.793	3.743	30	50	DHEA	
Cc1cccc(NC(=S)N/N=C/c2ccccc2Cl)c1	4231435	CXHWEQVIERTKAG-LICLKQGHSA-N	303.818	3.969	30	50	DHEA	
CC1CCN(C/C(O)=N/c2nnc(C3CCCCC3)s2)CC1	20018470	XVMFEVSSHFAGEZ-UHFFFAOYSA-N	322.478	3.906	30	50	DHEA	
CCn1cc(-c2cc(-c3cc(C)sc3C)nc(N)c2C#N)cn1	67885696	XVBRTLCAHOKVFQ-UHFFFAOYSA-N	323.425	3.764	30	50	DHEA	
O/N=C/c1cc(Br)ccc1OCc1cccc(F)c1	100891182	WZBDSVGCZKXTRH-CAOOACKPSA-N	324.149	3.975	30	50	DHEA	
Cc1nc2c(s1)CCC[C@@H]2C/N=C(/O)[C@@H]1CC12CCOCC2	328623444	JECXBYVMYGMKAD-OLZOCXBDSA-N	320.458	3.645	30	50	DHEA	
Cc1[nH]c2ccc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)cc2c1C	408400778	WYKOGNQULGFKDQ-KRWDZBQOSA-N	309.413	3.939	30	50	DHEA	
CN(Cc1cccc2cnccc12)C(=O)c1cc(F)cc(C#N)c1	77553625	QLZVVICLCRUHLL-UHFFFAOYSA-N	319.339	3.518	30	50	DHEA	
CC(C)(C)n1cc(C#N)c(NC(=O)c2ccc(Cl)c(F)c2)n1	121373110	GOUIYEYOSIWVFA-UHFFFAOYSA-N	320.755	3.555	30	50	DHEA	
N#CCN(C(=O)c1ccc(F)c(Cl)c1F)c1ccccc1	185750650	MFSUTCMHELSHDN-UHFFFAOYSA-N	306.699	3.789	30	50	DHEA	
N#CCc1cc(F)c(Br)c(F)c1Br	263623875	LMVPACFMTWGJFH-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
Cc1occc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	433134	LVQZYWGJXIBWLK-SECBINFHSA-N	300.383	3.898	30	50	DHEA	
COc1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1	455362	ABBVBLZNAGCFNY-UHFFFAOYSA-N	313.740	3.637	30	50	DHEA	
C=C(C)COc1cccc(NC(=O)N2CCC(F)(F)CC2)c1	96166486	RZNNATPIWVWAMU-UHFFFAOYSA-N	310.344	3.905	30	50	DHEA	
CCCCNCc1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1	169956027	JYAHFATXUFOJBL-UHFFFAOYSA-N	323.673	3.529	30	50	DHEA	
CN(C)c1ccc(C=Nc2ccc(C(=O)O)cc2Cl)cc1	252680307	YVPOALPNXNRQPE-UHFFFAOYSA-N	302.761	3.855	30	50	DHEA	
CCC1CCC(N(C)C(O)=Nc2c(C)nn(CC)c2C)CC1	330656936	OCLJLIVUZDWDQG-UHFFFAOYSA-N	306.454	3.966	30	50	DHEA	
CCOc1ccc(C#N)cc1NC(=O)c1scnc1C(C)C	460036163	GCGRGBKGCUSRDS-UHFFFAOYSA-N	315.398	3.789	30	50	DHEA	
C#CCCC1(CCC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)N=N1	952882807	XRQGVUCTKMQQCC-GJZGRUSLSA-N	313.401	3.935	30	50	DHEA	
Cc1cc(OCC(=O)Nc2cccc(C#N)c2)cc(C)c1Cl	318820	ZPAVFMKCSAFWEY-UHFFFAOYSA-N	314.772	3.846	30	50	DHEA	
COc1ccc(C(=O)/C=C/Nc2cccc(F)c2)cc1OC	860287	QFNNYUWQSQTILH-CMDGGOBGSA-N	301.317	3.651	30	50	DHEA	
C=CCN(CC=C)Cc1c(C)nc2ccc(OCC)cc2c1O	8713982	XMILEAUYYHIAHM-UHFFFAOYSA-N	312.413	3.822	30	50	DHEA	
N#CC1(C#N)[C@H]2C=CC(c3ccccc3)=CC[C@@H](C2)C1(C#N)C#N	104283952	SHLVXGJFDWWSMD-ROUUACIJSA-N	310.360	3.733	30	50	DHEA	
CC1(C)OB(c2cc(Cl)cc(Cl)c2Cl)OC1(C)C	687769836	FORZNJDILYOQOX-UHFFFAOYSA-N	307.413	3.946	30	50	DHEA	
O=C(Nc1ccc(Cl)c(Cl)c1)O/N=C\c1ccncc1	4996992	BUMBKNGYOFRLSE-IUXPMGMMSA-N	310.140	3.971	30	50	DHEA	
CC1(C)OB(c2ccc(-c3ccc(C#N)cc3)cc2)OC1(C)C	169935328	UQGDIRDLIFFOHN-UHFFFAOYSA-N	305.186	3.524	30	50	DHEA	in-vitro
CCO[C@@H](C)c1ccc(-c2nc(C)c(C(=O)O)cc2C#N)cc1	216051456	KZRPZGZXYBIZCQ-LBPRGKRZSA-N	310.353	3.724	30	50	DHEA	
N#Cc1ccc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)c(F)c1	275367113	BRKNKDGPAWRLNC-SFHVURJKSA-N	324.403	3.636	30	50	DHEA	
C=C(C)Cn1c(=S)[nH]c2sc3c(c2c1=O)CCCCC3	4907121	NEHXWMRYPGLEOA-UHFFFAOYSA-N	306.456	3.966	30	50	DHEA	
CC(NCc1ccc(Cl)cc1)=C1C(=O)c2ccccc2C1=O	100500076	YJSRKXCGRVULRU-UHFFFAOYSA-N	311.768	3.783	30	50	DHEA	
COc1ccc(OCC#CCOc2ccc(Cl)cc2)cc1	2839663	SFBHQGVGOBWAPG-UHFFFAOYSA-N	302.757	3.810	30	50	DHEA	
CCC(=O)Nc1cc(NC2=CC(=O)C[C@H](C)C2)ccc1Cl	16739905	FCAYEIDAGNKSQQ-SNVBAGLBSA-N	306.793	3.983	30	50	DHEA	
C#Cc1cccc(N(CC)C(=O)c2cccc(-n3cccn3)c2)c1	116639808	GDRFHKRWOJVVGT-UHFFFAOYSA-N	315.376	3.520	30	50	DHEA	
CCOC(=O)c1sc(N/N=C(/C)c2ccc(C)cc2)nc1C	252488344	IPOXDBATCRDGEE-WQRHYEAKSA-N	317.414	3.773	30	50	DHEA	
C=CC[C@H]1CC=C[C@H](CCCC)N1C(=O)c1cc(C)n(C)n1	1506397404	SKQUTBAIKHFXPQ-HOTGVXAUSA-N	301.434	3.634	30	50	DHEA	
CC(C)(C)OC(=O)C1CC2(C1)C[C@H]2B1OC(C)(C)C(C)(C)O1	1775955049	MLBQXPGCPOVRHJ-VMBJYNEYSA-N	308.227	3.591	30	50	DHEA	
Cc1c(C#N)c(-c2ccc3c(c2)CN(C)C3=O)nc2ccccc12	2356138902	SGGJWLKSOAMJDE-UHFFFAOYSA-N	313.360	3.668	30	50	DHEA	
COc1ccc(CNc2oc(-c3ccccc3)nc2C#N)cc1	301894	PNUXITSWAXYYSP-UHFFFAOYSA-N	305.337	3.834	30	50	DHEA	aggregator
CC(C)(C)c1ccc(/C=N/N=C2\C(=O)Nc3ccccc32)cc1	306105	KZIFPXHSTHJNHF-UDWIEESQSA-N	305.381	3.759	30	50	DHEA	
CC(C)Sc1sc(C(=O)c2ccccc2)c(N)c1C#N	1402685	ZPMXZGLFLCSIAQ-UHFFFAOYSA-N	302.424	3.933	30	50	DHEA	
Cc1ccc(S(=O)(=O)O[C@H](C)[C@H](C)c2ccccc2)cc1	4533248	XUZPCBIKUJUCJI-LSDHHAIUSA-N	304.411	3.893	30	50	DHEA	
O=C1/C(=N\O)c2ccccc2N1Cc1c(Cl)cccc1Cl	100165685	GDGXEHCXRSIZCT-JXAWBTAJSA-N	321.163	3.719	30	50	DHEA	
N#CCC(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1	187894905	RMLCRSXNEYDFGR-KRWDZBQOSA-N	310.784	3.880	30	50	DHEA	
N#CCc1c(Br)cc(Br)c(F)c1F	263624332	PKAAAEQXRULOJJ-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
N#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(F)c1	38365	LKBZSHWAZYAYHO-UHFFFAOYSA-N	323.371	3.940	30	50	DHEA	
CC(C(=O)NCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F	2871722	DUKCHTGOTBGJDP-UHFFFAOYSA-N	317.204	3.573	30	50	DHEA	
COc1cccc(/C=N/n2c(-c3ccccc3C)n[nH]c2=S)c1	6056315	FDUZVAGWTPWIMZ-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
Cn1c([C@@H]2CCCN2c2cccc(F)c2C#N)nc2c1CCCC2	275664851	PEADOEWODQTWHD-SFHVURJKSA-N	324.403	3.651	30	50	DHEA	
CCCCCCCCN[C@@H](C)CS(=O)(=O)c1ccccc1	2546437	VINZQLMTHMUDHZ-INIZCTEOSA-N	311.491	3.799	30	50	DHEA	
C=CCNC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1F	3128271	XYMCESPQPONPSZ-UHFFFAOYSA-N	322.317	3.504	30	50	DHEA	
N#C[C@@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2F)C1	95517972	JDINXKRBULHBQX-VIFPVBQESA-N	315.270	3.612	30	50	DHEA	
CC1(C)OB(c2ccc(NCc3ccccc3)cc2)OC1(C)C	204746422	UATUDYHJNNWJIR-UHFFFAOYSA-N	309.218	3.598	30	50	DHEA	
C=CC[C@@H]1C=CC[C@@H](CC=C)N1C(=O)c1ccccc1[N+](=O)[O-]	289256	NFAXFQGMLZCARZ-HUUCEWRRSA-N	312.369	3.886	30	50	DHEA	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)C(C)(C)C)n1	804087	OLMXWYCJMDJIQR-UHFFFAOYSA-N	316.348	3.988	30	50	DHEA	
C=CCN(Cc1ccccn1)C(=O)[C@@H](C)Oc1cc(C)ccc1C	55327606	KKLMJADEGGTWTL-QGZVFWFLSA-N	324.424	3.681	30	50	DHEA	
CC1(C)OB(c2cc(C(F)(F)F)ccc2Cl)OC1(C)C	206184184	AAJHNTLYZHVWSZ-UHFFFAOYSA-N	306.520	3.658	30	50	DHEA	in-vitro
C=C[C@H]1OC[C@@]2(COC(=O)NCCCC)[C@H](C)C=C(C)[C@H]1[C@H]2C	252694591	MYEOCWYJLVOICZ-ZQOJQMTGSA-N	321.461	3.932	30	50	DHEA	biogenic
C/C(=C\c1ccccc1Cl)C(=O)c1c(C)cc(C)[nH]c1=O	4953382	LKMDKZWKJCNDCA-PKNBQFBNSA-N	301.773	3.931	30	50	DHEA	
N#Cc1ccc(CSc2nc(-c3ccccc3)cc(=O)[nH]2)cc1	5124044	QEDVLODTOQLLGO-UHFFFAOYSA-N	319.389	3.601	30	50	DHEA	
CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1	100222921	HPIIQBIZUYHMQI-GOSISDBHSA-N	315.372	3.844	30	50	DHEA	
N#Cc1cc(C#N)c(S[C@H]2CCCCc3ccccc32)nc1N	170650864	YEFCHAWEJHXJFN-INIZCTEOSA-N	320.421	3.967	30	50	DHEA	
C[C@@H]1CCCCN1CCC(=O)Nc1ccc(C(C)(C)C#N)cc1	253405281	JZBPYNCJXLLGOO-OAHLLOKOSA-N	313.445	3.691	30	50	DHEA	
Cc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1[N+](=O)[O-]	442281	UBVYCYXVKPVOJR-UHFFFAOYSA-N	315.716	3.681	30	50	DHEA	
CC1(C)OB(c2cc(Cl)cc(C(F)(F)F)c2)OC1(C)C	169745993	DSRHHGXMHRASQY-UHFFFAOYSA-N	306.520	3.658	30	50	DHEA	in-vitro
N#Cc1ccccc1Oc1nc(-c2ccccn2)nc2c1CCC2	301195454	JYXNSVYCGOTDNV-UHFFFAOYSA-N	314.348	3.691	30	50	DHEA	
COCc1csc(N=C(O)N(C)[C@@H](C)C2CCCCC2)n1	330423208	BLOPMWUMFYMNBC-NSHDSACASA-N	311.451	3.736	30	50	DHEA	
CC(=O)/C(=N\Nc1ccccc1)NNc1cccc(Cl)c1C	1878097	BVUXHEXROGGMDD-UHFFFAOYSA-N	316.792	3.580	30	50	DHEA	
C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2	2469445	NHEMMNWLHMTLDB-CQSZACIVSA-N	309.365	3.579	30	50	DHEA	
COc1ccc([N+](=O)[O-])cc1N/C=C\C(=O)c1ccc(C)cc1	4754728	FTNDZMGSUPNTQA-KTKRTIGZSA-N	312.325	3.720	30	50	DHEA	
CC(/C=N/n1c(-c2ccccn2)n[nH]c1=S)=C\c1ccccc1	5789133	AHVPKPLOXULYMX-SZFRVYISSA-N	321.409	3.940	30	50	DHEA	
C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	5921098	CKAXZOYFIHQCBN-JRRMKBMNSA-N	316.485	3.754	30	50	DHEA	investigational
Cn1cc(-c2nn(-c3ccccc3)cc2/C=N/O)c2ccccc21	22130508	PHXCDFQXVUPMDK-RGVLZGJSSA-N	316.364	3.839	30	50	DHEA	
Cc1cc(C)c(C(=O)/C=C2\Nc3ccccc3NC2=O)c(C)c1	100112303	HDQRCXZIFUVSEK-YBEGLDIGSA-N	306.365	3.743	30	50	DHEA	
O=C(/C=C(O)/C=C/c1ccccc1O)/C=C/c1ccccc1O	102179169	YHTJEXHNRBHKKK-QHVQDVIZSA-N	308.333	3.835	30	50	DHEA	in-vitro
C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccc2c(c1)OCCO2	267257249	VVMSKQKKAUDPTD-SNVBAGLBSA-N	315.760	3.551	30	50	DHEA	
CN(C)/C=C/C(=O)c1ccc2noc(-c3cccc(F)c3)c2c1	1406966	VGHZNGUSIBINBU-CMDGGOBGSA-N	310.328	3.892	30	50	DHEA	
OC1(C#CCCN2CCCCC2)c2ccccc2-c2ccccc21	2285657	YPEVEJHFALYOKF-UHFFFAOYSA-N	317.432	3.782	30	50	DHEA	
Oc1cccc2ccc(/C=N/Nc3ccc4ccccc4n3)nc12	4421710	RDNSAQMYBXUHGD-UDWIEESQSA-N	314.348	3.935	30	50	DHEA	
CCc1ccc(/C=N\N2CCN(c3ccc(C)cc3)CC2)cc1	16872851	LUZYWBAWIOROLW-PGMHBOJBSA-N	307.441	3.714	30	50	DHEA	
C=CCn1cc(CN(C)Cc2cc3cc(F)ccc3[nH]2)c(C)n1	55414967	IKLYIRAQZWQRKH-UHFFFAOYSA-N	312.392	3.630	30	50	DHEA	
CC(C)/N=C1\S/C(=N/c2ccc([N+](=O)[O-])cc2)N1C(C)C	71770016	HGLAGJLSBIJPCL-VCFJNTAESA-N	306.391	3.804	30	50	DHEA	
Cc1cccc(OC2CCN(Cc3cc(C#N)n(C)c3C)CC2)c1	72436633	JDWFAQNQRPZYNT-UHFFFAOYSA-N	323.440	3.557	30	50	DHEA	
CCc1nc(C)c(C(O)=Nc2cc(C3CC3)nc(C)n2)s1	330279385	QYMLVZVNRNKIIV-UHFFFAOYSA-N	302.403	3.626	30	50	DHEA	
O=C([C@@H]1CO1)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1	1875372231	ANMULFSRAHCVPZ-KGLIPLIRSA-N	313.319	3.548	30	50	DHEA	
C=CCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1	2081207	RIYAKVSIUFTHHL-BOPFTXTBSA-N	323.323	3.735	30	50	DHEA	
COc1c(C)cccc1C(=O)Nc1sc(C)c(C)c1C#N	4811248	OGOVGPPVJIJAHM-UHFFFAOYSA-N	300.383	3.806	30	50	DHEA	
Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2O)c1	5981745	NKKZAQNRTYCTTD-LICLKQGHSA-N	310.382	3.504	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]21C	257355924	DPFJWSXDCNAYDI-HETMTNPWSA-N	310.437	3.659	30	50	DHEA	
COCCOc1ccc(CC(O)=Nc2ccccc2CC#N)cc1	328593431	GQVVSNUQPLSERB-UHFFFAOYSA-N	324.380	3.609	30	50	DHEA	
Cc1cscc1N=C(O)[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C	328615418	YGPQOOXHRGBYTM-WFASDCNBSA-N	319.430	3.773	30	50	DHEA	
C=CCOc1cccc(/C=N/NC(=S)Nc2ccccc2)c1	25758183	UPTZNSDUOXALJM-QGOAFFKASA-N	311.410	3.572	30	50	DHEA	
C=CCC[C@H](CN1CCCC1)Oc1ccc(-c2ccccc2)nn1	67804580	XYYFYJJGFPRXFD-GOSISDBHSA-N	323.440	3.953	30	50	DHEA	
C=CCCC[C@@H](NCCc1c(C)noc1C)[C@]1(C)CCCO1	1616041343	OTYSXHGDEBOFJB-MSOLQXFVSA-N	306.450	3.718	30	50	DHEA	
Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C#N)ccc1Cl	4842403	CPTGCZDODMWHIA-GFCCVEGCSA-N	314.772	3.926	30	50	DHEA	
Cc1ccc(NC(=O)CCN[C@@H]2CCC[C@@H](C#N)C2)c(Cl)c1	225576003	XNSAPTBKDGFNKV-ZIAGYGMSSA-N	319.836	3.649	30	50	DHEA	
C[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1	252463436	RELKJIZYBOMWHR-HONMWMINSA-N	307.378	3.514	30	50	DHEA	
C=CCN(CC=C)C(=O)c1cc(Br)ccc1Cl	12343631	UFMSEKSCQWDUKD-UHFFFAOYSA-N	314.610	3.917	30	50	DHEA	
CC(C)c1ccc(/C=N/n2c(S)nnc2-c2cccnc2)cc1	1240652	BCMFXGMPNVFRGF-VXLYETTFSA-N	323.425	3.634	30	50	DHEA	
C=CCc1cc(OC)ccc1OCCN(C)Cc1ccccc1	4915498	QYAFVXAGTSETMW-UHFFFAOYSA-N	311.425	3.935	30	50	DHEA	
COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OC	5073034	KDFMVUZUVRTZJF-MDZDMXLPSA-N	313.309	3.508	30	50	DHEA	
N#Cc1c(NC2CC(F)(F)C2)nc2c(c1C#N)CCCCCC2	281452549	LAMCHDQDCOEUJO-UHFFFAOYSA-N	316.355	3.694	30	50	DHEA	
Cc1ccc(/C(O)=N/[C@@](C)(c2noc(C)n2)C2CC2)c(Cl)c1	328593229	NWFKEABMQQZYRF-MRXNPFEDSA-N	319.792	3.970	30	50	DHEA	
CCc1nnsc1/C(O)=N/[C@@H](C)c1nc(C(C)(C)C)cs1	330664564	YUUCIQISKYHSHM-QMMMGPOBSA-N	324.475	3.920	30	50	DHEA	
O=C(/C=C\NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	2325809580	LFLHIJKHBNAVEN-KTKRTIGZSA-N	316.744	3.734	30	50	DHEA	
C#CCCC1(CCC(=O)N(CC)Cc2c[nH]c3ccccc23)N=N1	2325886272	BDHICAIRDPGVMZ-UHFFFAOYSA-N	322.412	3.872	30	50	DHEA	
COc1ccc(N2C(=O)CCC(C(=O)c3ccccc3)=C2C)cc1	201476	DICVLJQUTDRUTQ-UHFFFAOYSA-N	321.376	3.979	30	50	DHEA	
C=CCOc1c(Cl)cc(CNc2nccs2)cc1OC	2861671	HCQPOBIKVVGFPJ-UHFFFAOYSA-N	310.806	3.982	30	50	DHEA	
COc1ccc2c(c1)CC/C(=C\c1ccc(OC)cc1OC)C2=O	5361369	IAOURKOEPHIQSG-XNTDXEJSSA-N	324.376	3.925	30	50	DHEA	
C=C(C)COc1cccc(CN[C@@H](C)Cn2nc(C)cc2C)c1	55133469	PYTPGRHAOAZINP-INIZCTEOSA-N	313.445	3.633	30	50	DHEA	
CON=C1C[C@@H](C)Cc2nnc(-c3ccc(Cl)cc3)cc21	245239725	AIVWWERDIUPHNT-JTQLQIEISA-N	301.777	3.730	30	50	DHEA	
Cc1cc(C)c(N/C(O)=N/[C@@H](C)c2ncc(C)s2)c(C)n1	331249395	XRPAWBHUXBCPHF-LBPRGKRZSA-N	304.419	3.859	30	50	DHEA	
C=CCc1cc(CN(C)C[C@@H]2CCOC2)ccc1OC(C)C	820505657	POVUBMZWFACRSA-KRWDZBQOSA-N	303.446	3.671	30	50	DHEA	
C=CCOc1cccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)c1	2877237	BWTRMKISOLRIKQ-AWEZNQCLSA-N	311.381	3.751	30	50	DHEA	
CSC1=N/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)S1	4755452	ZERFNFDRCJHONF-YWEYNIOJSA-N	314.775	3.582	30	50	DHEA	
CCOc1ccc(CC(O)=Nc2ccc(OC)c(Cl)c2)nc1	328594441	KFPGTGLZUGFVBG-UHFFFAOYSA-N	320.776	3.973	30	50	DHEA	
Cc1c(CNCc2ccc3c(c2)CCC3)c2ccccn2c1C#N	2325856005	YPAQKLANCVIDKN-UHFFFAOYSA-N	315.420	3.898	30	50	DHEA	
Clc1ccc(-c2ccc(/C=N\n3cnnc3)o2)c(Cl)c1	43406	YKYCNBHTGAZOCI-FXBPXSCXSA-N	307.140	3.727	30	50	DHEA	
CNC(=S)N(Cc1ccccc1)/N=C/C=C/c1ccccc1	3151189	HRLRSLODVFONHU-PMMWVYMGSA-N	309.438	3.692	30	50	DHEA	
COc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(OC)c1	4991973	PAMHHVLOPQSNFE-JXMROGBWSA-N	313.309	3.508	30	50	DHEA	
CN(C)c1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1	19537710	PWOIMSMIRIJLFU-UHFFFAOYSA-N	320.440	3.927	30	50	DHEA	
COc1ccc(OC)c(N/C(C)=C/C(=O)c2ccc(C)o2)c1	4058316	MEBFAWMUKWYJKX-PKNBQFBNSA-N	301.342	3.804	30	50	DHEA	
COc1cc(C#N)cc(Cl)c1OC(=O)c1cccc(C)c1	4827992	AYVKTHXEWGLIND-UHFFFAOYSA-N	301.729	3.748	30	50	DHEA	
C[C@H]1CCC/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C	4947411	SBGRMEQAXBQFOZ-BFQJWLLSSA-N	306.322	3.727	30	50	DHEA	
C=CCOc1cccc(CN(CC)C(=O)c2cncc(C)c2)c1	55384189	MWSJEQWLQMLJOS-UHFFFAOYSA-N	310.397	3.617	30	50	DHEA	
FC(F)(F)c1ccnc(OC(C(F)(F)F)C(F)(F)F)c1	169725713	MRSLNVCDMSTFON-UHFFFAOYSA-N	313.119	3.972	30	50	DHEA	
O=c1c2cc(-c3ccccc3)sc2ncn1/N=C/c1ccco1	91713	DPTUFVUNKQQLGO-VXLYETTFSA-N	321.361	3.600	30	50	DHEA	
C#C[C@](Cc1ccc(OC)cc1)(OCC)c1ccc(OC)cc1	402165	INKXMHWYPNCABE-HXUWFJFHSA-N	310.393	3.812	30	50	DHEA	
C=CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1	12092939	YTPLZQALSQUYTR-KRWDZBQOSA-N	323.440	3.887	30	50	DHEA	
C=CCN(Cc1ccccc1OCC)C(=O)[C@H](C)n1cccc1	55225565	UUSMZSXJBGANFF-INIZCTEOSA-N	312.413	3.663	30	50	DHEA	
C=C(C)COc1ccccc1C(=O)N(C)CCC[C@@H]1CCCO1	63869056	WLYWNMACDMYTTR-MRXNPFEDSA-N	317.429	3.673	30	50	DHEA	
CC1(C)Cc2ccccc2C(/C(=N\O)C(=O)c2ccccc2)=N1	100573208	IBEJPWVJHUEDLB-HEHNFIMWSA-N	306.365	3.524	30	50	DHEA	
Cc1cc(Cl)cc(C(=O)N(CCC#N)Cc2cccnc2)c1	150971012	YWJZMPFDBIMROF-UHFFFAOYSA-N	313.788	3.600	30	50	DHEA	
O=C1/C(=C/C2=Cc3ccccc3OC2)CCc2cc(O)ccc21	170619180	OSJLIKGAWLAPBF-MHWRWJLKSA-N	304.345	3.924	30	50	DHEA	
OC(=Nc1nccnc1-c1ccccc1)c1cccc2c1OCO2	328594800	BYQVNBXOCWIZLY-UHFFFAOYSA-N	319.320	3.509	30	50	DHEA	
COc1ccc(/N=C(/S)Nc2ccc(F)cc2)c(OC)c1	306181	PTWYBBKRXDZWCF-UHFFFAOYSA-N	306.362	3.872	30	50	DHEA	
CCN(CC)CC#CCC(O)(c1ccccc1)c1ccccc1	1803676	VPBFGUWKZZRKKM-UHFFFAOYSA-N	307.437	3.658	30	50	DHEA	
C#CCN(CC=C)Cc1nc(-c2ccccc2Cl)oc1C	14978876	QLRZNZLXPUHHAG-UHFFFAOYSA-N	300.789	3.925	30	50	DHEA	
O=C1/C(=C/c2cccc(O)c2)Oc2c(Br)cccc21	299738223	KNGYBQMJJPLLNA-JYRVWZFOSA-N	317.138	3.771	30	50	DHEA	
N#Cc1c(-c2ccccc2)ccn2nc(-c3cccs3)nc12	1390018	UNAZZKWXZGOJSW-UHFFFAOYSA-N	302.362	3.996	30	50	DHEA	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2C#N)cc1	4833354	WZQYLCOYQLNIEJ-UHFFFAOYSA-N	300.745	3.538	30	50	DHEA	
C=C(C)CN(CC)[C@@H]1CCC(=O)N(Cc2ccccc2F)CC1	12150241	BLBXSRLDCJOLLY-QGZVFWFLSA-N	318.436	3.605	30	50	DHEA	
C=CCc1cc(Cl)ccc1OCCCN1C[C@H](C)O[C@H](C)C1	16247643	UALLEIYZPNUKFS-GASCZTMLSA-N	323.864	3.947	30	50	DHEA	
Cc1c(C#N)cccc1NC(=O)N1CCC(c2ccncc2)CC1	191918054	MUFDCSOCUKZHGE-UHFFFAOYSA-N	320.396	3.673	30	50	DHEA	
Cc1ccc(N=Cc2cc([N+](=O)[O-])c3ccccc3c2O)nc1	252680293	YRAKIUMASYAQPF-UHFFFAOYSA-N	307.309	3.908	30	50	DHEA	
CN(Cc1ccccc1)c1oc(-c2ccccc2F)nc1C#N	1857800376	SPYWMKCXGPNDEU-UHFFFAOYSA-N	307.328	3.989	30	50	DHEA	
CCOC(=O)[C@@H](C#N)[C@]1(Cc2ccccc2)CCOC(C)(C)C1	206882	IVKJJYPTGRKTGJ-APWZRJJASA-N	315.413	3.507	30	50	DHEA	
C=C(C)COc1cccc(CN(Cc2nccn2C)C2CC2)c1	55282381	XOENXKATLKUHCY-UHFFFAOYSA-N	311.429	3.540	30	50	DHEA	
FC(F)(F)C1(C(F)(F)F)O[C@@](F)(Cl)[C@@](F)(Cl)O1	95810996	PQTSJAIWJYMBOX-WSOKHJQSSA-N	314.943	3.578	30	50	DHEA	in-vitro
Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1/C=C/c1ccccc1	253432066	IRGNYWMMPVERSH-ZNFPLGDCSA-N	306.365	3.778	30	50	DHEA	
N#CCc1c(F)cc(Br)c(F)c1Br	263625431	ZXVDNCZQCWFRRG-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
CC1(C)OB(c2ccc(Cc3cccs3)cc2)OC1(C)C	169743732	OPJUSDABOPHYPQ-UHFFFAOYSA-N	300.232	3.638	30	50	DHEA	in-vitro
C=CCSc1nc2ccccc2c2nc(-c3ccncc3)nn12	9476781	CUSQBTKAHOQFHJ-UHFFFAOYSA-N	319.393	3.618	30	50	DHEA	
C=CCC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccco1	225633109	HFAWPFKHUHUHME-GJZGRUSLSA-N	320.433	3.886	30	50	DHEA	
COc1cccc([C@@H](C)/N=C(/S)NCc2ccc(F)cc2)c1	13932568	AUIFGNSEBLDJPR-GFCCVEGCSA-N	318.417	3.971	30	50	DHEA	
C#Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)s2)cc1	1875329404	UJGHVJOTMYRCRF-INIZCTEOSA-N	306.390	3.578	30	50	DHEA	
C=CCOc1cccc(C(=O)Nc2cc(OC)ccc2OC)c1	4842499	CDHVCHUDYPBAJR-UHFFFAOYSA-N	313.353	3.521	30	50	DHEA	
C=CCOc1cccc(C(=O)Nc2ccc(OC)cc2OC)c1	4843035	BONAPWXXADMNCX-UHFFFAOYSA-N	313.353	3.521	30	50	DHEA	
N#CC1CCN(C(=O)c2cccc(-c3ccc(O)cc3F)c2)CC1	426705953	XNYYABQJGYWICG-UHFFFAOYSA-N	324.355	3.574	30	50	DHEA	
C#CCCC1(CCC(=O)N2[C@H]3CCC[C@H]2CC(F)(F)C3)N=N1	952883284	YLPDQBWDIZSEKP-STQMWFEESA-N	309.360	3.521	30	50	DHEA	
Cc1ccc(N/C(S)=N\Cc2ccc3c(c2)OCO3)cc1	8687465	YHPFMNQEQIJIQS-UHFFFAOYSA-N	300.383	3.622	30	50	DHEA	
C=CCSC1=N/C(=C\C=C\c2ccc([N+](=O)[O-])o2)C(=O)S1	12343931	KGTDRPOOXQDJCE-STMOGGTPSA-N	322.367	3.634	30	50	DHEA	
Cc1cccc2c1CC(C)(C)NC2=C1C(=O)CC(C)(C)CC1=O	100093068	ALHPXVJBYQCZJZ-UHFFFAOYSA-N	311.425	3.589	30	50	DHEA	
CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)N2CCCCCC2)n1	125193789	CJAUHRZWOJRZTP-KGLIPLIRSA-N	319.474	3.707	30	50	DHEA	
C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(C#N)c1	229636183	AIMQCQUICRZQIK-CLCXKQKWSA-N	320.392	3.549	30	50	DHEA	
N#Cc1cc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)ccc1F	276024263	QVXRNOJPXDKJLX-GOSISDBHSA-N	324.403	3.636	30	50	DHEA	
OC(CCn1ccc(-c2ccccn2)n1)=Nc1cccc(F)c1	328586829	RQGXVHKOWFEHOD-UHFFFAOYSA-N	310.332	3.763	30	50	DHEA	
O=[N+]([O-])c1ccc(O)c(/C=N/N=C2\C[C@H](c3ccccc3)N=N2)c1	100821776	OBQPOCLELMOPJG-YNZPVUCOSA-N	323.312	3.630	30	50	DHEA	
N#CCCN(CCC#N)C(=O)c1ccccc1Oc1ccccc1	2851667	FRBQNWPVQRRNTL-UHFFFAOYSA-N	319.364	3.748	30	50	DHEA	
C=C/C(O)=N/[C@@H](C)CC(O)=Nc1cccc(N2CCCC2)c1	328597259	GHABESZMGGWVCP-ZDUSSCGKSA-N	301.390	3.796	30	50	DHEA	
CCc1c(C#N)c(N)nc(SCc2ccccc2C)c1C#N	19337978	IUDAOSZZFJMAJP-UHFFFAOYSA-N	308.410	3.570	30	50	DHEA	
CC(C)(C)NCc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1	169936772	ZZRHGRFITYOSNP-UHFFFAOYSA-N	323.673	3.527	30	50	DHEA	
C=C(C)[C@H]1CC=C(C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)C1	356474	STWVLHHEKSOYEN-ZDUSSCGKSA-N	313.357	3.613	30	50	DHEA	
COc1ccc(/C=C/C(=O)c2cc(F)ccc2OC)cc1OC	5670756	DTGYZFNYURNEOY-QPJJXVBHSA-N	316.328	3.748	30	50	DHEA	
C=CCN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O	33403233	BJYIQLIGIMIQMS-DHZHZOJOSA-N	324.199	3.671	30	50	DHEA	
O/C(CN1CCC(Cc2ccccc2)CC1)=N\c1nccs1	51507588	UKKWILBQNXKLAC-UHFFFAOYSA-N	315.442	3.686	30	50	DHEA	
CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H]2[C@H]2CCCOC2)n1	591955995	QKSPGEREJMZYRN-JKSUJKDBSA-N	313.445	3.646	30	50	DHEA	
CC1(C)CC(C(=O)Nc2ccc(Oc3nccnc3C#N)cc2)C1	1875276814	DXFNQNQLDOKMRX-UHFFFAOYSA-N	322.368	3.515	30	50	DHEA	
O=C1Nc2ccc(Br)cc2/C1=N/c1cccc(F)c1	41112	CEOCOEZMQOJJEG-UHFFFAOYSA-N	319.133	3.661	30	50	DHEA	
C=C(C)Cn1c(=S)[nH]c2sc3c(c2c1=O)CC(C)(C)OC3	477620	VZHRWHXRLYMCIC-UHFFFAOYSA-N	322.455	3.548	30	50	DHEA	
CCN(CC)[P+](CC)(c1ccc(N(C)C)cc1)N(CC)CC	4253987	KSUDQODFECFZTJ-UHFFFAOYSA-N	324.473	3.929	30	50	DHEA	
CC1=NN([C@@H](C#N)c2cc(Br)ccc2O)C(C)(C)C1	4770780	PKQFACGXFCBGTQ-LBPRGKRZSA-N	322.206	3.580	30	50	DHEA	
C=CC[C@@H]1CCCN(Cc2cc(C)c(OCC(=O)O)c(C)c2)C1	902281260	HZZKJYPYXCWWDF-MRXNPFEDSA-N	317.429	3.555	30	50	DHEA	
CCCO[C@H]1CCCN(c2nc3ccccc3c(C)c2C#N)C1	1857670653	WQXXQYIPSUWKGT-HNNXBMFYSA-N	309.413	3.810	30	50	DHEA	
CC(C)CN(CCC#N)Cc1c[nH]nc1-c1ccc(Cl)o1	2325794725	OQFMDCKTQACGOD-UHFFFAOYSA-N	306.797	3.695	30	50	DHEA	
CC(C)(C)OC(=O)NC1CC(C)(B2OC(C)(C)C(C)(C)O2)C1	2325904055	OCJHMPMHVOAOLT-UHFFFAOYSA-N	311.231	3.526	30	50	DHEA	
CSC(=S)N/N=C(\C(=O)c1ccccc1)c1ccccc1	1782809	VUUNQYXUSXVGJA-VKAVYKQESA-N	314.435	3.511	30	50	DHEA	
SCCCCCOc1ccc(I)cc1	23115461	GBCFJWHJYNZYAT-UHFFFAOYSA-N	322.211	3.770	30	50	DHEA	
O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)c1ccncc1F	2325749258	QNCXQGSUKKJGBR-OWOJBTEDSA-N	319.719	3.541	30	50	DHEA	
CCCc1ccc(OCC(=O)Nc2ccc(CC#N)cc2)cc1	37202	MUJZULQSQOTGFU-UHFFFAOYSA-N	308.381	3.723	30	50	DHEA	
O=C1C[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1	1430813	OIFMTEDSWBQDSJ-SECBINFHSA-N	310.180	3.604	30	50	DHEA	
CCc1ccc([C@@H]2C[C@@H](C(F)F)n3ncc(C#N)c3N2)cc1	2783793	GYMVGPYZBBRGNO-KBPBESRZSA-N	302.328	3.680	30	50	DHEA	
C=CCN(CC=C)C(=O)c1sc2nc(C)c(C)c(C)c2c1N	4708776	MZCTYNNTHQPBGS-UHFFFAOYSA-N	315.442	3.618	30	50	DHEA	
Sc1nnc(C2CCCCC2)n1/N=C/C=C/c1ccco1	6226206	ZMIYKKQTKFAGKZ-PVZXKMMOSA-N	302.403	3.755	30	50	DHEA	
C=CCn1c(S)nnc1CSc1nc2ccccc2s1	8680846	KSHMTBKLZKORJN-UHFFFAOYSA-N	320.468	3.655	30	50	DHEA	
CO[C@H]1CCCCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N	170652908	WQHDXIRWBAJIDH-RYUDHWBXSA-N	313.323	3.732	30	50	DHEA	
N#CC1(c2nc(-c3cccnc3OC3CCCC3)no2)CCCC1	273727353	KJMWURJXSNKXKK-UHFFFAOYSA-N	324.384	3.788	30	50	DHEA	
Cc1cc(C)cc([C@@H]2CCN(c3nnc(C)c(C)c3C#N)C2)c1	302127451	FXWNSKQIMVWTDH-MRXNPFEDSA-N	306.413	3.576	30	50	DHEA	
Cc1ccccc1OCc1cccc(B2OC(C)(C)C(C)(C)O2)c1	310510931	INJZJGPJFDRBAN-UHFFFAOYSA-N	324.229	3.873	30	50	DHEA	
C#Cc1ccc([C@@H]2CCCN2C(=O)c2csc(C#N)c2)cc1	1875329309	PVDZHFZMZPTQEE-KRWDZBQOSA-N	306.390	3.578	30	50	DHEA	
CSC1=N[C@@H](c2ccc(C)cc2)C2=C(N1)c1ccccc1C2=O	1406956	ZZLMSGLIYOXJKE-INIZCTEOSA-N	320.417	3.966	30	50	DHEA	
CC1(C)OB(c2cccc(OCc3ccccc3)c2)OC1(C)C	169747928	CMBBWFXLHUITFS-UHFFFAOYSA-N	310.202	3.565	30	50	DHEA	in-vitro
N#Cc1c(NC(=O)COc2ccccc2)sc2c1CCCC2	264229	QHTHSHPGHBEQIG-UHFFFAOYSA-N	312.394	3.516	30	50	DHEA	
N#Cc1ccnc(SC[C@H](O)c2ccc(F)cc2Cl)c1	184962562	ZDNUUGVZVZUHOF-ZDUSSCGKSA-N	308.765	3.571	30	50	DHEA	
OC(=Nc1cccc(Oc2ccccn2)c1)N1C[C@@H]2CCC[C@H]21	329917671	FNRVIGGSZVRLBB-XJKSGUPXSA-N	309.369	3.904	30	50	DHEA	
Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccccc1O	1248984	YJHTWZDUHSYJBU-LICLKQGHSA-N	310.382	3.504	30	50	DHEA	
CC(C)CC[C@](C)(O)C#CCN1CCCC[C@H]1c1cccnc1	248242675	FPZQVDCMRGOONA-VQTJNVASSA-N	314.473	3.799	30	50	DHEA	biogenic
CC1(C)OB(c2ccc(Cl)c(OC(F)(F)F)c2)OC1(C)C	382063708	QISLQVXIWYBENQ-UHFFFAOYSA-N	322.519	3.538	30	50	DHEA	
C=C[C@@]12CC[C@@H]([C@H](OCc3ccc(OC)cc3)C1=O)C2(C)C	101092716	RCNWQYVMKXISOH-TXPKVOOTSA-N	300.398	3.772	30	50	DHEA	
N#Cc1c[nH]c(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1	177515790	HFUPZAQLGKMUDC-UHFFFAOYSA-N	315.376	3.729	30	50	DHEA	
C[C@H]1CC(B2OC(C)(C)C(C)(C)O2)=CCN1C(=O)OC(C)(C)C	606302432	MARFGAOIFGKRBE-LBPRGKRZSA-N	323.242	3.574	30	50	DHEA	
C#CCCC1(CCC(=O)N2[C@H]3CC[C@H]2CC2(C3)CC2(F)F)N=N1	952882297	UGHNEYPNUNTEQC-STQMWFEESA-N	321.371	3.521	30	50	DHEA	
C=C(C)c1cccc(C(C)(C)NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1	203332	ZBTQNFDZBZMMIU-HUUCEWRRSA-N	316.445	3.774	30	50	DHEA	
N#C[C@@H](c1ccccc1)c1cn2cc(Br)ccc2n1	13301139	UVYVHCOUSZXMNQ-ZDUSSCGKSA-N	312.170	3.752	30	50	DHEA	
C=C(C)COc1ccc(C(=O)N2CC[C@H](COCCC)C2)cc1	55211501	ZZQMWLIRVDBVSK-INIZCTEOSA-N	317.429	3.530	30	50	DHEA	
N#CC1CCN(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)CC1	331367323	DQSBILLFSWOLKH-MSOLQXFVSA-N	311.429	3.658	30	50	DHEA	
Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc(O)c2)c1	1257288	UASGGCJGKRZJPF-LICLKQGHSA-N	310.382	3.504	30	50	DHEA	
CCCNC(=O)c1ccsc1/N=C/c1ccc(OC)cc1	6399705	RHIACDACXRHXTH-WOJGMQOQSA-N	302.399	3.647	30	50	DHEA	
CCOc1ccccc1-c1c(C#N)c(N)nc2c1CCCCC2	19795029	KZVJATLFPVZMPD-UHFFFAOYSA-N	307.397	3.870	30	50	DHEA	
Cc1ccc(Br)cc1NC(=O)c1cccc(C#N)c1	37415475	VPXLEUZUEFZJTF-UHFFFAOYSA-N	315.170	3.882	30	50	DHEA	
C=CC[C@@H]1C=CC[C@@H](CC=C)N1C(=O)c1cnn2c1CCCC2	72168939	DZARMNGDTSDOPP-HZPDHXFCSA-N	311.429	3.511	30	50	DHEA	
C[C@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@@H](c2ccsc2)O1	156416437	OFZLFSSGSPASBO-ZFWWWQNUSA-N	318.442	3.511	30	50	DHEA	
CN(C)/C=C/C=C\C=C1/CCC/C(=C\C=C\C=C\N(C)C)C1=O	226175342	PNSKXRVMCVFMQJ-JEHIJUICSA-N	312.457	3.855	30	50	DHEA	
C#CCCC1(CCC(=O)N[C@H](C)c2cc3ccccc3cn2)N=N1	2325895303	VVGINGDGHWIYIU-CQSZACIVSA-N	320.396	3.768	30	50	DHEA	
COCc1cc(-c2cc(C3CCC3)nc(N)c2C#N)ccc1OC	67714049	FTTYJHPTUUYQJG-UHFFFAOYSA-N	323.396	3.625	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C	257345604	CKAXZOYFIHQCBN-LDIHBYOFSA-N	316.485	3.754	30	50	DHEA	in-man
Cc1cc(Br)ccc1CN(C)C[C@H](C#N)CCC#N	390835693	VDYXIEMJQKEVIO-ZDUSSCGKSA-N	320.234	3.633	30	50	DHEA	
CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)Nc1cccc(C#N)c1	952869534	UTWWEAMNQSWGLC-UHFFFAOYSA-N	322.343	3.843	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2ccc(N3CCCC3)c(C)c2)N=N1	952881179	KPTMPFGTKLLAGZ-UHFFFAOYSA-N	324.428	3.889	30	50	DHEA	
CC1(C)CC[C@]2(CCN2C(=O)C#Cc2ccccc2Cl)C1	2325829411	JHRJVJKDRZJVSV-SFHVURJKSA-N	301.817	3.873	30	50	DHEA	
COc1ccc2c(c1)CC/C(=C\c1ccc(N(C)C)cc1)C2=O	183962	DIMSXLVQCLMKRE-FOWTUZBSSA-N	307.393	3.974	30	50	DHEA	
COc1ccc(NC2=CC(=O)C[C@@H](c3ccco3)C2)c(OC)c1	4663352	BGHNOAUOFSYTEU-LBPRGKRZSA-N	313.353	3.739	30	50	DHEA	
Cc1c(N/C(S)=N\Cc2ccc(F)cc2)cccc1[N+](=O)[O-]	8682693	PVLKBZCVYHPRKC-UHFFFAOYSA-N	319.361	3.940	30	50	DHEA	
Cc1ccc(NC(=O)COc2ccc(C#N)cc2F)c(Cl)c1	134308149	OKPPWOIIQSWSAQ-UHFFFAOYSA-N	318.735	3.677	30	50	DHEA	
C=C(C)CN(CC)C(=O)c1cccc(-c2cn[nH]c2C2CC2)c1	299781866	UFXJNSCYGSTXPH-UHFFFAOYSA-N	309.413	3.992	30	50	DHEA	
C#CCCC1(CCC(=O)N2CCc3cccc(F)c3[C@H]2C)N=N1	952881771	QALZBTYKMGDNEQ-CYBMUJFWSA-N	313.376	3.627	30	50	DHEA	
N#Cc1cc(-c2ccc(C3(N)CC3)cc2)cc(N2CCCC2)c1	2325799044	PGXCCPXYNJNTAZ-UHFFFAOYSA-N	303.409	3.773	30	50	DHEA	
CC(=C/c1ccccc1)/C=N/n1c(S)nnc1-c1ccncc1	1244927	UOWIBMOFVIKGGB-MDWFKHSNSA-N	321.409	3.566	30	50	DHEA	
COc1ccc(/C=N/Nc2cc(-c3ccccc3)nc(C)n2)cc1	4595525	ISHYZHMGVZXMMN-DEDYPNTBSA-N	318.380	3.907	30	50	DHEA	
C=CCOc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	4855257	PLFCHQSIABOECZ-UHFFFAOYSA-N	312.325	3.720	30	50	DHEA	
COc1ccc([C@H](C)/N=C(/S)NC2CCCCC2)cc1OC	15952102	WQIFQWLLUTYTOX-LBPRGKRZSA-N	322.474	3.973	30	50	DHEA	
CC(C)CC(=O)N1CCC(Nc2ccc(C#N)c(Cl)c2)CC1	264824016	GMHSITFBKYSQKD-UHFFFAOYSA-N	319.836	3.661	30	50	DHEA	
CCn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/[C@H](C)c1ccccc1	328626455	LSDTZRBIHDCCQY-FRFSOERESA-N	313.401	3.698	30	50	DHEA	
C=C(C)[C@@H]1OCC[C@@H]1C/N=C(/O)NC(C)(C)c1cccc(C)c1	331258248	ZDKXAYRLPLHYEH-WBVHZDCISA-N	316.445	3.715	30	50	DHEA	
Cc1cc2ncn(CCCOc3ccccc3C#N)c2cc1C	2881219	MXCJBDUMYPXDRK-UHFFFAOYSA-N	305.381	3.994	30	50	DHEA	
CC/C(=N\O)[C@H](C)C(=O)CCC(=O)Nc1ccc(Cl)cc1	17195709	USUGUQLVJTZTIF-LNLNWCRDSA-N	310.781	3.504	30	50	DHEA	
O/C(=N/Cc1ccc(C2CC2)cc1)N1CCC(c2cnc[nH]2)CC1	328588730	NSRSAIWZKCJJJR-UHFFFAOYSA-N	324.428	3.581	30	50	DHEA	
CC1(C)C[C@H](/N=C(/O)c2snc(Cl)c2Cl)CCO1	328592860	NXCMWTNMZBLUHJ-ZCFIWIBFSA-N	309.218	3.712	30	50	DHEA	
CCc1ccc([C@@H](C#N)N(C)C(=O)c2cc(Cl)ccn2)cc1	328595518	XCOLSZRBIZEMTJ-MRXNPFEDSA-N	313.788	3.634	30	50	DHEA	
Cc1ccc2nc(C)c(C(=O)NC3(C#N)CCCCC3)cc2c1	408099169	JNZJVJGTCPMLLB-UHFFFAOYSA-N	307.397	3.808	30	50	DHEA	
Cc1cccc(-c2ncc(CN3CCC[C@](C)(C#N)C3)cn2)c1	670444280	RGVYFGFRDJIVNZ-LJQANCHMSA-N	306.413	3.578	30	50	DHEA	
COc1ccccc1OCC#CCN1CCCc2ccccc21	2863020	VDPFNMBWHWCAGQ-UHFFFAOYSA-N	307.393	3.530	30	50	DHEA	
COCC/N=C(/S)Nc1ccccc1Cc1ccccc1	13519884	USHUKBHRSMQVKO-UHFFFAOYSA-N	300.427	3.622	30	50	DHEA	
CCCc1c(-c2cccnc2)nc(N)c(C#N)c1-c1ccco1	71404096	LOPRINQDPUJLEQ-UHFFFAOYSA-N	304.353	3.810	30	50	DHEA	
C[C@@H](NCc1nnc(-c2ccccc2)s1)c1cccc(C#N)c1	182015863	BNBCXGFGFZBRNI-CYBMUJFWSA-N	320.421	3.928	30	50	DHEA	
C#CCCOc1ccccc1CNCCc1ccc2[nH]ccc2c1	2325748976	PAPBQRTUMUBKAO-UHFFFAOYSA-N	318.420	3.902	30	50	DHEA	
CC1=NN([C@H](C#N)c2cc(Br)ccc2O)C(C)(C)C1	4770781	PKQFACGXFCBGTQ-GFCCVEGCSA-N	322.206	3.580	30	50	DHEA	
Cc1cc(C(=O)N(CCC#N)CC(F)(F)F)ccc1Cl	132457367	XIKVQBIZSGIJTD-UHFFFAOYSA-N	304.699	3.567	30	50	DHEA	
C[C@@H](C(=O)N[C@](C)(C#N)CCc1ccccc1)c1cccs1	159634070	HXCSUPGKWKBOAG-KDOFPFPSSA-N	312.438	3.883	30	50	DHEA	
CC(C)(C)OC(=O)N[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1	169746150	BQDDQHLYCAQNMX-ZDUSSCGKSA-N	323.242	3.621	30	50	DHEA	in-vitro
Cc1ccc(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc1	170007662	RUVIFWOIMVJSDM-UHFFFAOYSA-N	322.213	3.525	30	50	DHEA	
N#Cc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)cc1	1245495561	VJKCYCVWKVAWCS-UHFFFAOYSA-N	313.360	3.666	30	50	DHEA	
COc1ccc(N/N=C(\C#N)c2nc3ccccc3s2)cc1	4996952	QYOOMOZQEJNRKP-XSFVSMFZSA-N	308.366	3.645	30	50	DHEA	
C=CC[C@@H]1Nc2ccccc2[C@H]1C[C@@H](N)C(O)(CC=C)CC=C	222301381	SODVTAFKCBYHBN-ZIFCJYIRSA-N	312.457	3.741	30	50	DHEA	
Cc1ccc(Cn2c(-c3ccccc3)ccc(C#N)c2=O)cc1	1402912	DBCJIVDGIIYKMB-UHFFFAOYSA-N	300.361	3.744	30	50	DHEA	
C=CCc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)c(OC)c1	4907635	XPDVCAMNVZDWBY-HZPDHXFCSA-N	303.446	3.780	30	50	DHEA	
CCOc1ccc(C(=O)/C=C/c2cc(OC)ccc2OC)cc1	5068746	LSUDSPJSZORDAI-YRNVUSSQSA-N	312.365	3.999	30	50	DHEA	
C=C(C)COc1ccc(C(=O)N[C@H](C)CCc2ccco2)cc1	55308569	ANAIRBKJXMQSLT-OAHLLOKOSA-N	313.397	3.986	30	50	DHEA	
CC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCCC(=O)O	197550570	OXXJZDJLYSMGIQ-QQUSCTABSA-N	308.418	3.500	30	50	DHEA	in-vitro
COC(=O)CCC[C@](C#N)(c1ccccc1)c1ccccc1C#N	3133341	PTJGIZYCSHDGIP-FQEVSTJZSA-N	318.376	3.711	30	50	DHEA	
C=CCNc1ccccc1C(=O)N(C)[C@H](C)Cc1ncccc1C	55270648	DTVQKOOXMOWAJD-MRXNPFEDSA-N	323.440	3.691	30	50	DHEA	
C/C(=N\Nc1cc(-c2ccccc2)nc(C)n1)c1ccc(O)cc1	4595531	NXODYRQVTBZIFA-LPYMAVHISA-N	318.380	3.994	30	50	DHEA	
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cc(C)n[nH]1	55271866	AFFQVEHEGMKUHW-AEFFLSMTSA-N	307.397	3.806	30	50	DHEA	
CCc1csc([C@@H]2CCCN(c3snc(C)c3C#N)C2)n1	225818857	PUMWBDGEWXMOQB-LLVKDONJSA-N	318.471	3.726	30	50	DHEA	
COc1ccsc1/C(O)=N/C[C@@H]1CCCc2sc(C)nc21	328618530	DUZYKTLXNPVZDP-JTQLQIEISA-N	322.455	3.946	30	50	DHEA	
CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C#N)c3n2)s1	2739326	HZUVPZGICVKYAA-UHFFFAOYSA-N	322.315	3.911	30	50	DHEA	
COC(=O)C1=CC(=O)[C@]2(C)CCc3c(ccc4ccccc34)[C@@H]12	4532769	TVQYYCZBEKLJIM-ICSRJNTNSA-N	306.361	3.558	30	50	DHEA	
C=CCn1c(S)nnc1-c1csc(-c2ccccc2)n1	5624822	IWWYJKYXTZZSRX-UHFFFAOYSA-N	300.412	3.543	30	50	DHEA	aggregator
O/N=C1\C=C/C(=N\O)C2=C1C1c3ccccc3C2c2ccccc21	104543577	GDZVCJMAVJGBEK-YHARCJFQSA-N	314.344	3.804	30	50	DHEA	
C[C@@H](c1ccc2ccccc2c1)N(C)C(=O)c1ccc(C#N)nc1	1506407138	MSSXHYZQUNWHGO-AWEZNQCLSA-N	315.376	3.940	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2nc3c(s2)CCC3(C)C)N=N1	2325885343	MRNACTAZOALEPM-UHFFFAOYSA-N	316.430	3.661	30	50	DHEA	
COc1ccc(C(=O)CSc2nc(C)cc(C)c2C#N)cc1	34250	MDQMWNZWRMOAPL-UHFFFAOYSA-N	312.394	3.554	30	50	DHEA	
COc1ccc(Nc2c(C#N)c(C)nn2-c2ccccc2)cc1	383865	QHDDXIQTYGMMHB-UHFFFAOYSA-N	304.353	3.805	30	50	DHEA	
COc1cc(OC)c(/N=C/c2cccc(OC)c2O)cc1Cl	2167386	KLLOKWNLJQPSRZ-GIJQJNRQSA-N	321.760	3.822	30	50	DHEA	
C#CCCC1(CCC(=O)NCC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)N=N1	2325886429	XAYKMTBEQIAQMA-JYJNAYRXSA-N	315.461	3.921	30	50	DHEA	
Cc1ccc([C@H](O)C#CC(O)(c2ccccc2)c2ccccc2)o1	3169256	GCUGOKRWLBHMLQ-LJQANCHMSA-N	318.372	3.561	30	50	DHEA	
CC1=C(/C(C)=N\Nc2ccccc2)[C@@H](c2ccccc2)NC(=O)N1	12416501	STOVKOUBLDXNCF-QWQBBLJPSA-N	320.396	3.803	30	50	DHEA	
C=CCc1cc(CN[C@H](CC)c2ccnn2C)ccc1OCC	55182728	PXRLZPKTVJZLFF-QGZVFWFLSA-N	313.445	3.788	30	50	DHEA	
CCCCCCCCCCNS(=O)(=O)c1ccc(N)cc1	101172443	CFXCSYKPJCSMQV-UHFFFAOYSA-N	312.479	3.688	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2cc(C)nn2CCCCC)N=N1	2325892463	OFUOAAVTJRRKCW-UHFFFAOYSA-N	315.421	3.676	30	50	DHEA	
C#CCCC1(CCC(=O)NCCc2ccccc2C2CC2)N=N1	2325900457	ZNKJQLCDRGNHTC-UHFFFAOYSA-N	309.413	3.578	30	50	DHEA	
COc1ccc(-c2nc(C#N)c(N3C[C@H](C)C[C@@H](C)C3)o2)cc1	468605	SEMNDIUVWLVZBW-CHWSQXEVSA-N	311.385	3.704	30	50	DHEA	
C=C(C)Cn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@H](C)C3	507848	IZWMMCYDHMFZGM-VIFPVBQESA-N	306.456	3.821	30	50	DHEA	
C=CCN(CC=C)[C@@H]1CCC(=O)N(Cc2ccccc2C)CC1	12099248	CLYXLSGBLFGUHN-LJQANCHMSA-N	312.457	3.550	30	50	DHEA	
COC1(c2ccccc2)CCN(c2nc(C)cc(C)c2C#N)CC1	2356138932	SMZQGSADTLQOMF-UHFFFAOYSA-N	321.424	3.712	30	50	DHEA	
CCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1C#N	4451092	LBOVBOOXCIMCNH-LBPRGKRZSA-N	312.394	3.664	30	50	DHEA	
CC[C@@H](C)[C@H]1CCCC/C1=N\NS(=O)(=O)c1ccc(C)cc1	4800697	FEEALDLWCLMVCP-ANTVTUJRSA-N	322.474	3.866	30	50	DHEA	
Cc1cc(C)c(NC(=O)CSc2ncccc2C#N)c(C)c1	7051578	YHUKVJWTQNNWRE-UHFFFAOYSA-N	311.410	3.609	30	50	DHEA	
C=CCOc1ccc(C(=O)Nc2cccc(NC(=O)CC)c2)cc1	9230863	DYGZDHKSDLCIKR-UHFFFAOYSA-N	324.380	3.852	30	50	DHEA	
Cc1cccc(N=Cc2cc(N=Nc3nonc3N)ccc2O)c1	252430746	HOTXVGHTXJZMCR-UHFFFAOYSA-N	322.328	3.832	30	50	DHEA	
C=CC[C@@H](C)NC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1	253392967	MZMRFTQFZVLRBT-CQSZACIVSA-N	324.428	3.973	30	50	DHEA	
COc1ccc([C@@H](C)/N=C(/O)Cc2ccc(F)cn2)cc1F	328592274	BVAVIVDIBTUFGT-SNVBAGLBSA-N	306.312	3.629	30	50	DHEA	
O/C(=N/C[C@@H]1CCOc2ccccc21)NC1CCC(F)(F)CC1	328857014	DCNDQTUSQJSMFV-LBPRGKRZSA-N	324.371	3.634	30	50	DHEA	
COc1ccc([C@@H]2C[C@@H]2c2nc(C#N)c(N3CCCCC3)o2)cc1	1857799375	ZGBHSMJGMSFVLT-HOTGVXAUSA-N	323.396	3.816	30	50	DHEA	
C=CCn1cc(CN2CCC[C@H]2c2cc(C(C)C)on2)c(C)n1	55087993	JCAVQPQEXYNUQR-KRWDZBQOSA-N	314.433	3.826	30	50	DHEA	
Clc1ccc(N/N=C(\c2ccccc2)c2ccccn2)nc1	5850868	YHHFKWKMXWRVTJ-OQKWZONESA-N	308.772	3.995	30	50	DHEA	in-vitro
Cc1cccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)c1	5969749	SLGDWCFNLZUFNR-VCHYOVAHSA-N	312.373	3.564	30	50	DHEA	
COc1ccc(C/N=C(/S)Nc2ccc(OC)cc2)cc1	8683718	JWUSWCXFLYPIGS-UHFFFAOYSA-N	302.399	3.602	30	50	DHEA	
C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1c1cnn(C)c1	241435193	NLOBUEKATROVTK-GOSISDBHSA-N	324.428	3.908	30	50	DHEA	
CC[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)o2)CC[C@]1(C)O	248163323	MZROBQBTYYAXSL-UZLBHIALSA-N	324.424	3.801	30	50	DHEA	
Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(F)cc2)cc1	1473695	IYOBWEGUSQNFLY-VCHYOVAHSA-N	312.373	3.937	30	50	DHEA	
N#Cc1cc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)ccc1F	276024265	QVXRNOJPXDKJLX-SFHVURJKSA-N	324.403	3.636	30	50	DHEA	
CC(C)c1noc([C@@H](/N=C(/O)C2=CCCC2)C2CCOCC2)n1	328612381	ONSOYCDGHLLOGY-AWEZNQCLSA-N	319.405	3.728	30	50	DHEA	
N#C[C@H]1c2ccccc2C(=N)N1c1ccc(Br)cc1	22589184	LZMJVOCSSPFZKN-AWEZNQCLSA-N	312.170	3.859	30	50	DHEA	
C[C@H](C#N)Oc1ccc(/C=C2/COc3ccccc3C2=O)cc1	171114280	ZLBKHLBNJSDUPU-NWFCWYBLSA-N	305.333	3.636	30	50	DHEA	
C=CCN(Cc1ccsc1)Cc1cc(-c2ccccn2)no1	1506396462	UETMJSVLJKOPOV-UHFFFAOYSA-N	311.410	3.986	30	50	DHEA	
Brc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1	3909457	YXGQENKAHJMNLZ-CXUHLZMHSA-N	315.174	3.771	30	50	DHEA	
N/C(=N\OC(=O)CCCc1ccccc1)c1ccc(Cl)cc1	4318729	JULJGIACQIEZAZ-UHFFFAOYSA-N	316.788	3.526	30	50	DHEA	
CCCSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1	4907518	PNGQTXVIJWWKOS-POHAHGRESA-N	307.396	3.529	30	50	DHEA	
COc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(C)c2)cc1	6199719	ATSKITVXUHDGBU-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
N#Cc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@H](c1cccc(O)c1)N2	16651454	WMVGWPFTFAKDPZ-ZYSHUDEJSA-N	306.365	3.898	30	50	DHEA	
CC(=C/c1ccccc1)/C=N/NC(=S)NC1CCCCC1	43761083	FKKRNAXMOWYPDB-FGFUYGETSA-N	301.459	3.873	30	50	DHEA	
C=CCCn1ccc(-c2cccc(-c3ccc(OC)nn3)c2)n1	82039397	RBBAVXNRZFROOY-UHFFFAOYSA-N	306.369	3.592	30	50	DHEA	
C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1c(C)[nH]c(C(C)=O)c1C	212993631	XNTCFPYVCJOTQV-NHYWBVRUSA-N	300.402	3.569	30	50	DHEA	
CCOC(=O)[C@H](C)[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1	953019025	BICUCHDJTUIKRJ-OLZOCXBDSA-N	308.227	3.544	30	50	DHEA	
N#Cc1cccc(CN2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)c1	1857739421	SPYMNJCNXPRGOM-LEWJYISDSA-N	318.420	3.910	30	50	DHEA	
CCOc1cccc2[nH]cc(C/C(O)=N/CC3(CF)CC3)c12	328591862	ZIPGFKVBIFEFNS-UHFFFAOYSA-N	304.365	3.815	30	50	DHEA	
CN(C(=O)CC#N)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1	368411637	ISJNSISVXOQFTK-KBPBESRZSA-N	310.319	3.714	30	50	DHEA	
C=CCc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)c(OC)c1	4907633	XPDVCAMNVZDWBY-HOTGVXAUSA-N	303.446	3.780	30	50	DHEA	
C#C[C@@](Cc1ccc(OC)cc1)(OCC)c1ccc(OC)cc1	402166	INKXMHWYPNCABE-FQEVSTJZSA-N	310.393	3.812	30	50	DHEA	
Cc1ccc(-c2nnc(S)n2/N=C/c2ccc(C)s2)cc1	1246805	OJKHSBGVOPFOMW-CXUHLZMHSA-N	314.439	3.794	30	50	DHEA	
C/C(=N\N=C\c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1	4706740	HLHIBXWHSASSEB-KLCVKJMQSA-N	310.357	3.504	30	50	DHEA	
COc1cccc(/C=N/Nc2nnc(Cl)c3ccccc23)c1	17122372	ZINHQJSMNLUJAS-VCHYOVAHSA-N	312.760	3.738	30	50	DHEA	
CN(Cc1ccc(C#N)o1)c1cccc([C@@H](O)c2ccccc2)c1	2325879818	IZKOFIQKMOIMQT-FQEVSTJZSA-N	318.376	3.869	30	50	DHEA	
Cc1nc2c(n1[C@H]1CCN(c3ccc(C#N)cc3F)C1)CCCC2	275513505	XMEYMYOWUDWVFM-HNNXBMFYSA-N	324.403	3.533	30	50	DHEA	
CC(O)=Nc1ccn([C@@H]2CCN([C@H](C)c3cccc(C)c3)C2)n1	328621213	HORRBARQLKWSJD-RHSMWYFYSA-N	312.417	3.807	30	50	DHEA	
COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1[N+](=O)[O-]	120327	DQXQHVYSBRSWEW-OQLLNIDSSA-N	313.334	3.933	30	50	DHEA	
N#Cc1cnn2c(C(F)(F)Cl)cc(-c3ccc(F)cc3)nc12	2747707	VGFAERDCQSSZTN-UHFFFAOYSA-N	322.677	3.695	30	50	DHEA	
CCc1ccsc1C(=O)Nc1cc(C)c(N(C)C)cc1C#N	328595401	UDJNQHLEXWBXMQ-UHFFFAOYSA-N	313.426	3.809	30	50	DHEA	
N#Cc1cc(-c2cccc(CSc3ncccn3)c2)ccc1N	1875356578	QWQBNKPQNLXQFR-UHFFFAOYSA-N	318.405	3.890	30	50	DHEA	
C=CCc1ccccc1OC[C@@H](O)CNC(C)(C)CC(C)(C)C	2451886	LDLHSWWZEPQHFP-KRWDZBQOSA-N	319.489	3.959	30	50	DHEA	
CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cccc(C)c1	170618261	ZQNLRDKIGVWHST-QFBILLFUSA-N	324.376	3.907	30	50	DHEA	
Fc1ccc(Cn2cnc(/N=C/c3ccc(Cl)cc3)n2)cc1	227173674	FBPVMALFXCRZSZ-DJKKODMXSA-N	314.751	3.870	30	50	DHEA	
C=CCN(Cc1ccc(C)s1)C(=O)c1c(C)cc(C)nc1O	1506401544	JDIVLIYVWAOAHQ-UHFFFAOYSA-N	316.426	3.602	30	50	DHEA	
CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccncc1	615007	JFNZJTCAVNOXBH-UHFFFAOYSA-N	321.409	3.524	30	50	DHEA	
Cc1ccc([C@H]2OCCC[C@H]2CNc2nc(C)cc(C#N)n2)cc1	288309318	IKMAZRMFQZVZCD-FUHWJXTLSA-N	322.412	3.545	30	50	DHEA	
CCCN(CC1CC1)C(=O)c1cccc(-c2cccnc2C#N)c1	299791989	DISFIRUORHFMRS-UHFFFAOYSA-N	319.408	3.882	30	50	DHEA	
C[C@H](/N=C(/O)c1cc2ncccn2n1)c1cc2ccccc2o1	328592608	OBDHNVSAXGXWBC-NSHDSACASA-N	306.325	3.541	30	50	DHEA	
C=C(C)COc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1	8570593	BCJSEALTCHUIDM-UHFFFAOYSA-N	311.337	3.623	30	50	DHEA	
CCCN(CCc1ccccc1)C(=O)c1cc(F)cc(C#N)c1	952974788	CBRFLDNJKFBAIY-UHFFFAOYSA-N	310.372	3.792	30	50	DHEA	
O=C(O)Cc1ccc(/N=C/c2ccc(Br)cc2)cc1	2546402	XNPCUZKZRQRUAN-LICLKQGHSA-N	318.170	3.827	30	50	DHEA	
Cc1sc(NC(=O)COc2ccc(F)cc2F)c(C#N)c1C	2757054	PBZZLTFQQQQCKB-UHFFFAOYSA-N	322.336	3.532	30	50	DHEA	
COCc1cc(C)nc(SCCOc2ccccc2)c1C#N	7462388	IDZNSYUBAUFOIM-UHFFFAOYSA-N	314.410	3.579	30	50	DHEA	
CCn1nc(C)c([C@H](C#N)N2N=C(C)C[C@@H]2c2ccccc2)c1C	15023310	PASFWUUMHKYUSI-MSOLQXFVSA-N	321.428	3.907	30	50	DHEA	
C=CCN(Cc1ccc2c(C)cc(=O)oc2c1)Cc1ccco1	55308194	IBLDQLDECQWNFV-UHFFFAOYSA-N	309.365	3.883	30	50	DHEA	
CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccc(C)o2)CC(=O)O3)C1=O	217778111	QWEJPZAVLHRUKO-GFCCVEGCSA-N	324.332	3.898	30	50	DHEA	biogenic
N#CCCC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1	255189413	PROJTPZZSFRKIF-UHFFFAOYSA-N	315.760	3.556	30	50	DHEA	
C=CCC(C)(C)c1nccn1-c1ccc2c(c1)nc([C@H](C)O)n2C	1775981852	XEAQUOUWYXEKLN-ZDUSSCGKSA-N	324.428	3.666	30	50	DHEA	
N#Cc1cnn2c1N[C@@H](c1ccc(Cl)cc1)C[C@H]2C(F)F	2783496	ZQODBIGFZWPWRS-NEPJUHHUSA-N	308.719	3.771	30	50	DHEA	
CCCn1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cn1	181496196	HDGFQPQQTYBLDB-UHFFFAOYSA-N	316.430	3.776	30	50	DHEA	
COC(=O)[C@@H](Sc1nc(C)cc(C)c1C#N)c1ccccc1	377656	LCUPADFRLPRGSA-HNNXBMFYSA-N	312.394	3.577	30	50	DHEA	
CSC1=N/C(=C\c2ccccc2Br)C(=O)S1	4755125	PBIOXCWJOWLWRN-TWGQIWQCSA-N	314.229	3.782	30	50	DHEA	
Cc1ccc(C/C(O)=N/C[C@H]2CCO[C@@H]2c2ccccc2)cn1	328611025	KARAJXHXOJLFQD-IEBWSBKVSA-N	310.397	3.667	30	50	DHEA	
COc1cccc2c1CC/C(=C\c1ccc(N(C)C)cc1)C2=O	92285	MAQOWUXXYSGQBG-FYWRMAATSA-N	307.393	3.974	30	50	DHEA	
CC(C)Nc1nc(-c2ccccn2)nc(-c2ccccc2)c1C#N	1393446	TYDFNHZGEIEVQQ-UHFFFAOYSA-N	315.380	3.898	30	50	DHEA	
Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C#N)c3N2)s1	2766580	BTVYRQUGPDQKAD-MWLCHTKSSA-N	312.320	3.785	30	50	DHEA	
O=C(C[n+]1ccc(-c2ccccc2)nc1)c1ccc(Cl)cc1	3121747	FHTMGNHYDOGBKJ-UHFFFAOYSA-N	309.776	3.572	30	50	DHEA	
CCOC(=O)C[n+]1c(/C=C/c2ccccc2)sc2ccccc21	5592168	DXPBTDUQUMLOLZ-OUKQBFOZSA-N	324.425	3.922	30	50	DHEA	
C/C(=N\N1CCN(Cc2ccc(C)cc2)CC1)c1ccccc1	5682788	FTTLXAVQXDBROA-DYTRJAOYSA-N	307.441	3.537	30	50	DHEA	
Cc1cc(Cl)ccc1C(=O)N(CCC#N)CC(F)(F)F	165279293	SSUMCMWULFHJNL-UHFFFAOYSA-N	304.699	3.567	30	50	DHEA	
CCC[C@H]1C=CCN1C(=O)c1ccc(-c2cccc(C#N)n2)cc1	426477861	GUIVINBDVQAQFS-SFHVURJKSA-N	317.392	3.801	30	50	DHEA	
Cc1ccc[n+]([C@@H](C)C(=O)c2ccc(Br)cc2)c1C	3131046	PLOUPVQHSIBBQU-ZDUSSCGKSA-N	319.222	3.797	30	50	DHEA	
CC(/C=N/n1c(-c2ccco2)n[nH]c1=S)=C\c1ccco1	5665568	UFYUATBSPRZJLR-BPNXTJCCSA-N	300.343	3.731	30	50	DHEA	
O=[N+]([O-])c1ccc(O)c(/C=N/CC23CC4CC(CC(C4)C2)C3)c1	19799748	RUTHJMXVFKPVOT-VXLYETTFSA-N	314.385	3.936	30	50	DHEA	
CCOc1ccc(C=Nn2c(S)nnc2-c2ccccc2)cc1	239229098	URVRQYARIFTBFL-UHFFFAOYSA-N	324.409	3.515	30	50	DHEA	
N#Cc1cc(NC(=O)c2cc3ccccc3c(=O)o2)ccc1Cl	408515042	SQGKHCRNANDQEU-UHFFFAOYSA-N	324.723	3.570	30	50	DHEA	
N#Cc1ccccc1CN1CCC[C@@H](c2nccn2CC2CC2)C1	82107051	YHIUZUYLPYSXJD-LJQANCHMSA-N	320.440	3.544	30	50	DHEA	
C[C@@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2/C(=N/N)C[C@@]2(C)CCC[C@H]12	257345987	OACCTZFVZNCBCK-UWWBWOGMSA-N	304.478	3.705	30	50	DHEA	
C[C@H](NC(=O)N[C@H]1Cc2ccccc2[C@H]1C)c1cccc(C#N)c1	1615550760	KGSGWAOHFYNNNH-TYILLQQXSA-N	319.408	3.647	30	50	DHEA	
O=C1C=C(c2c(O)ccc3ccccc23)c2ccccc2C1=O	1674769	CEFYNLRCBQRIBG-UHFFFAOYSA-N	300.313	3.743	30	50	DHEA	
N#Cc1cc(C(=O)N[C@H](CCc2ccccc2)C(F)F)cs1	1329175833	DXMWMZWKMAIBGW-CQSZACIVSA-N	320.364	3.616	30	50	DHEA	
C=CCc1cc(CN(C)CC[C@@H]2CCCCO2)ccc1OC	1506415084	UZHPPWPWYGCZHM-SFHVURJKSA-N	303.446	3.815	30	50	DHEA	
C=CCc1ccc(OCCCN2CCC[C@@H](C)C2)c(OC)c1	2823359	YIWVKPIIIXLBSB-MRXNPFEDSA-N	303.446	3.925	30	50	DHEA	
C=C(C)C(=O)OCn1c2ccccc2c2cc([N+](=O)[O-])ccc21	2898323	TVRZVERDSWOWQV-UHFFFAOYSA-N	310.309	3.780	30	50	DHEA	
CC1(C)C[C@@H](NC(=O)c2ccc(CC#N)cc2)c2ccccc21	332235549	GJVZGZREPFCHKG-GOSISDBHSA-N	304.393	3.905	30	50	DHEA	
C#CCCC1(CCC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)N=N1	952882806	XRQGVUCTKMQQCC-CABCVRRESA-N	313.401	3.935	30	50	DHEA	
C(=N\N1CCN(c2ccccc2)CC1)\c1cccc2ccccc12	5009094	MELLEQOHDHKBDA-XLNRJJMWSA-N	315.420	3.996	30	50	DHEA	
Cc1[nH]nc2c1[C@@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2	13597163	QKLKZONYGYBOKZ-MRXNPFEDSA-N	323.396	3.624	30	50	DHEA	
Cc1ccc(S(=O)(=O)OCC2CCC(F)(F)CC2)cc1	96024805	OCWUKOKBIIRNFC-UHFFFAOYSA-N	304.358	3.526	30	50	DHEA	
C=C(C)CN1CCC(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1	170621959	FFNXZBDWQWGOMU-DLBZAZTESA-N	320.521	3.996	30	50	DHEA	
O=C1c2ccccc2C(=O)N1N=Cc1ccc(Cl)cc1Cl	252438202	BKNJQKPGLWXENM-UHFFFAOYSA-N	319.147	3.624	30	50	DHEA	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2	4081771	BPEWUONYVDABNZ-DZBHQSCQSA-N	300.398	3.590	30	50	DHEA	biogenic,world
CCCCCCCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1	100719502	KJDJOWPIBCKFML-UHFFFAOYSA-N	308.378	3.694	30	50	DHEA	
COC(=O)[C@H]1/C(=C/c2ccc(C)c(C)c2)C(=O)c2ccccc21	170601417	LTWMMKZFHNTSDK-UWKDKTGGSA-N	306.361	3.840	30	50	DHEA	
OC(C#CCN1CCCCCC1)(c1ccccc1)c1ccccc1	4164263	MQBPAVQBUDRCEI-UHFFFAOYSA-N	319.448	3.802	30	50	DHEA	
CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1	4853381	IAOSQPWOMMQOPG-INIZCTEOSA-N	301.386	3.551	30	50	DHEA	
C=CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C	12058344	CNHWIUKGNFZDPN-MRXNPFEDSA-N	323.440	3.887	30	50	DHEA	
C=CCn1c(S)nnc1[C@@H](C)Oc1ccc(Cl)cc1C	17032066	GBNCQLMXTDNDJD-SNVBAGLBSA-N	309.822	3.855	30	50	DHEA	
Cc1ccc(NC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1	113336580	MACKVQVXUDKSCN-UHFFFAOYSA-N	315.417	3.700	30	50	DHEA	
N#Cc1nc([C@H]2C[C@@H]2c2ccc(F)cc2)oc1N1CCCCC1	1775976764	UOVHRRIBPQSLLI-CABCVRRESA-N	311.360	3.947	30	50	DHEA	
O=C[C@@H]1C[N@]1C(c1ccccc1)(c1ccccc1)c1ccccc1	1857523680	NEUUUDUJOWNVQD-GMAHTHKFSA-N	313.400	3.862	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]21C	9231483	IMSSROKUHAOUJS-ZPAWYTMASA-N	310.437	3.916	30	50	DHEA	biogenic,in-vitro
CCc1nc(C)c(/C(O)=N/[C@H]2CCOc3c(F)cccc32)s1	329869296	YPEFZNIZJCCZPW-LBPRGKRZSA-N	320.389	3.981	30	50	DHEA	
C=CCOc1ccccc1CN1CCN(c2ccccc2)CC1	55292284	OWUHGOKZPSPDRK-UHFFFAOYSA-N	308.425	3.574	30	50	DHEA	
N#Cc1ccc(C(=O)c2ncc(C(F)(F)F)cc2Cl)cc1	261494757	DGWJRNITXBZAJZ-UHFFFAOYSA-N	310.662	3.856	30	50	DHEA	
N#Cc1c(NC(=O)c2c(F)cccc2F)sc2c1CCC2	2763823	BAZUIDRBOPJQAK-UHFFFAOYSA-N	304.321	3.639	30	50	DHEA	
S=C(N/N=C\c1cccc2ccccc12)NC1CCCCC1	4793544	OLROBEQQCLQTCL-UYRXBGFRSA-N	311.454	3.971	30	50	DHEA	
CN(C)c1ccnc(SCc2ccc(Cl)cc2)c1C#N	16133825	WMLYDLONMMRVOW-UHFFFAOYSA-N	303.818	3.965	30	50	DHEA	
FC(F)(F)c1ccc(C#CCN2CCO[C@@H]3CCCC[C@H]32)cc1	230163490	PHAJKJHVDFNHMX-IAGOWNOFSA-N	323.358	3.700	30	50	DHEA	
C[C@@H](Nc1ncc(C#N)cc1F)c1ccc(NC(=O)C2CC2)cc1	413050227	VMMXNMGKTNREBU-LLVKDONJSA-N	324.359	3.614	30	50	DHEA	
C=CCOc1ccc(CN2CC(c3ccccn3)C2)cc1CC=C	820505579	CCDVYIQZBJNKGO-UHFFFAOYSA-N	320.436	3.974	30	50	DHEA	
CCCCOCCO[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1	1775937696	OWHUOYTUFRZISS-INIZCTEOSA-N	324.270	3.930	30	50	DHEA	
Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1	2770791	REFFUKDNGCERQY-CHWSQXEVSA-N	306.291	3.724	30	50	DHEA	
C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(C#N)c(O)c1	189218632	ZOPWYKQVBWDSPP-HXUWFJFHSA-N	320.392	3.501	30	50	DHEA	
CC(C)Oc1ccc(CC[C@@H](C)/N=C(/O)N2CCCCO2)cc1	328698033	LMWYGGYCAWWUCG-OAHLLOKOSA-N	320.433	3.736	30	50	DHEA	
C#CCCC1(CCC(=O)NCc2cc3cc(C)ccc3o2)N=N1	952880247	DWEMXGJGJBUANC-UHFFFAOYSA-N	309.369	3.713	30	50	DHEA	
C#CCCC1(CCC(=O)NC2(c3cccc(C)c3)CCC2)N=N1	952883150	WZHNIDXTOBMLJN-UHFFFAOYSA-N	309.413	3.846	30	50	DHEA	
CCc1noc(NC(=O)CC2=C(c3ccccc3)CCC2=O)c1C	1506428320	PCFVEFKLOBHJIY-UHFFFAOYSA-N	324.380	3.691	30	50	DHEA	
Cc1ccccc1C1=CCN(C(=O)Nc2snc(C)c2C#N)C1	1671122806	LTPUKTSVNSTXQC-UHFFFAOYSA-N	324.409	3.563	30	50	DHEA	
N#Cc1cc(-c2cccc3nsnc23)cc(N2CCCC2)c1	1875405987	UICLVYZCNCHVMY-UHFFFAOYSA-N	306.394	3.830	30	50	DHEA	
Cc1cc(OCC(=O)Nc2ccccc2C#N)ccc1Cl	455251	NLFIDHJTPAKDNT-UHFFFAOYSA-N	300.745	3.538	30	50	DHEA	
COc1ccc(C[S@](=O)Cc2cccc(C#N)c2)cc1Cl	170610999	YGFAYPVKTJUITG-OAQYLSRUSA-N	319.813	3.669	30	50	DHEA	
Cc1ccc(C#N)cc1OC[C@@H](F)CN(C)Cc1ccccc1	1875378802	FAJCDISKNRUYKX-SFHVURJKSA-N	312.388	3.716	30	50	DHEA	
Cc1cc(C(F)(F)F)nc(Sc2nc(C)cc(C)c2C#N)n1	468541	DKJHHYXNBSKAAK-UHFFFAOYSA-N	324.331	3.839	30	50	DHEA	
Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2F)c1	5981744	SNIMXPVFOHECLH-VCHYOVAHSA-N	312.373	3.937	30	50	DHEA	
COc1ccc(-c2nc(C#N)c(N3C[C@@H](C)C[C@@H](C)C3)o2)cc1	13618440	SEMNDIUVWLVZBW-BETUJISGSA-N	311.385	3.704	30	50	DHEA	
CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(C)cc2)CCOC(C)(C)C1	209724	CYXLBAWOZNHCJF-LPHOPBHVSA-N	315.413	3.525	30	50	DHEA	
Cc1ccccc1Cn1ccc(-c2cccs2)c(C#N)c1=O	1403939	OECFEDKXGQNJIM-UHFFFAOYSA-N	306.390	3.805	30	50	DHEA	
C=CCc1c(C)[nH]c2c(-c3ccc(Cl)cc3)c(C)nn2c1=O	8992631	KBPMVCVJWKMQDJ-UHFFFAOYSA-N	313.788	3.688	30	50	DHEA	
CC(C)=NOc1nc(-c2cccs2)cc(C(F)(F)F)n1	12849101	OWFPIZQDJJSFMS-UHFFFAOYSA-N	301.293	3.999	30	50	DHEA	
Oc1ccc(O)c(/C(=N/Nc2ccccc2)c2ccccc2)c1	20841945	NJPPCOOYWVRVAN-XUTLUUPISA-N	304.349	3.962	30	50	DHEA	
Cc1cccc(OC2CCN(C(=O)c3ccccc3C#N)CC2)c1	77300017	ACOCMVHOLVPTPY-UHFFFAOYSA-N	320.392	3.550	30	50	DHEA	
Cc1cccc(N/C(S)=N\Cc2ccc3c(c2)OCO3)c1	8687479	GQYXPXDMRGYTMR-UHFFFAOYSA-N	300.383	3.622	30	50	DHEA	
CC1(C)OB(c2ccc(/C=N/Cc3ccccc3)cc2)OC1(C)C	169974908	IOTMQCIVEHNGQC-PXLXIMEGSA-N	321.229	3.605	30	50	DHEA	in-vitro
C#Cc1ccc([C@@H]2CCCN2C(=O)c2cc(C#N)cs2)cc1	1875329469	XLFGOVVLILNXSD-INIZCTEOSA-N	306.390	3.578	30	50	DHEA	
C#CCCC1(CCN(CCCCOC)Cc2ccccc2)N=N1	2325891757	FPWCWADKWNMGBB-UHFFFAOYSA-N	313.445	3.881	30	50	DHEA	
CCOc1ccccc1C(=O)Nc1sc(C)c(C)c1C#N	35561	PFOOMSBLIHANBY-UHFFFAOYSA-N	300.383	3.888	30	50	DHEA	
O=C1CC(c2ccccc2)CC(=O)C1=CNc1ccc(F)cc1	432330	JVWGNVQYJHGQPQ-UHFFFAOYSA-N	309.340	3.837	30	50	DHEA	
CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1F	1758913	DETKTIXGLHYHFR-INIZCTEOSA-N	319.376	3.690	30	50	DHEA	
Fc1ccccc1/C=N/Nc1nnc(Cl)c2ccccc12	4947482	HTMCXIRWSHOPDV-GIJQJNRQSA-N	300.724	3.868	30	50	DHEA	
COc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1OC	4997006	HSDBVTMXXGJQGH-VQHVLOKHSA-N	313.309	3.508	30	50	DHEA	
CC(C)Oc1cccc(C(=O)n2cc(C#N)c3ccccc32)c1	220970788	IKDWCYMNEWJETE-UHFFFAOYSA-N	304.349	3.989	30	50	DHEA	
C#CO[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21C	229743129	PBNYSFWSJABVTO-MFKWGIFDSA-N	312.409	3.544	30	50	DHEA	biogenic
COCCOc1ccc(-c2nc3c(cc2C#N)CCCC3)cc1	426624739	GRQJRCNYLXBMQT-UHFFFAOYSA-N	308.381	3.524	30	50	DHEA	
Cc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)c(C)c1	143602	FZTAOYFNARCYNU-UHFFFAOYSA-N	313.364	3.644	30	50	DHEA	
Oc1ccc2ccccc2c1/C=N\Nc1nc2ccccc2[nH]1	5236153	JEINIJSRWOMIBR-ODLFYWEKSA-N	302.337	3.868	30	50	DHEA	
C=CCN(Cc1ccco1)Cc1nccn1-c1ccc(OC)cc1	55132847	QOGDAJAZUKVYLC-UHFFFAOYSA-N	323.396	3.662	30	50	DHEA	
C=Cc1cccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)c1	67642776	LKFSUCWYAWWAFK-WMLDXEAASA-N	316.408	3.537	30	50	DHEA	
Cc1ccc2c(n1)oc1c(B3OC(C)(C)C(C)(C)O3)cccc12	217467731	FPPVNLSNFDMQGR-UHFFFAOYSA-N	309.174	3.589	30	50	DHEA	
COc1ccc(-c2c(C#N)cn3c(nc4ccccc43)c2C#N)cc1	221525816	NPCNZPPNHPAPJD-UHFFFAOYSA-N	324.343	3.906	30	50	DHEA	
CCOC(=O)C[N+]1(C[C@H]2[C@@H](C)CC(C)=C[C@H]2C)CCCCC1	226784981	STWYYIRIFPLEOS-FGTMMUONSA-N	308.486	3.789	30	50	DHEA	
Cc1cc2c(c(C)c1Cl)C(=O)/C(=C/c1ccc(O)c(O)c1)O2	299738263	OWRSCONBBWYVIF-AUWJEWJLSA-N	316.740	3.984	30	50	DHEA	
Cc1cccc2oc(N3CCO[C@@H](c4cccc(C#N)c4)C3)nc12	1615586156	QRKZXTXTQKPPCR-QGZVFWFLSA-N	319.364	3.586	30	50	DHEA	
CCN1C(=C2C(=O)c3ccccc3C2=O)C=Cc2ccccc21	301852	NCRJOMGZWVKEFS-UHFFFAOYSA-N	301.345	3.873	30	50	DHEA	
CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1	2770945	RQQDWMLGAMMXFB-KGLIPLIRSA-N	320.318	3.977	30	50	DHEA	
COc1cc([C@@H](C#N)N2N=C(C)C[C@H]2c2ccccc2)ccc1O	239259342	ZAWOVJQWSBZWIG-DLBZAZTESA-N	321.380	3.788	30	50	DHEA	
COc1ccc([C@H]2C[C@H]2c2nc(C#N)c(N3CCCCC3)o2)cc1	1857799376	ZGBHSMJGMSFVLT-HZPDHXFCSA-N	323.396	3.816	30	50	DHEA	
COc1ccc(CNc2oc(Cc3ccccc3)nc2C#N)cc1	1050056	UYERTTMJJHUEIV-UHFFFAOYSA-N	319.364	3.758	30	50	DHEA	
C=CCNc1ccccc1C(=O)N(C)Cc1ccc(CC)cn1	55253576	QHXCZDVDRYRVDU-UHFFFAOYSA-N	309.413	3.514	30	50	DHEA	
C=CCSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1	2062018	ZMTUBKLPLPUQOF-UHFFFAOYSA-N	324.405	3.672	30	50	DHEA	
N#Cc1c(N)nc2c(c1-c1ccsc1)Cc1c(O)cccc1-2	71750856	JWWJVFLEEYXKQS-UHFFFAOYSA-N	305.362	3.541	30	50	DHEA	
N#Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2)ccc1Cl	122110795	UTMFQEVGCNOQRV-UHFFFAOYSA-N	322.755	3.650	30	50	DHEA	
CCc1cc(C#N)ccc1NC(=O)N(C)CC[C@H]1CCCCO1	299792212	FTHKTSMKCIZTTG-MRXNPFEDSA-N	315.417	3.544	30	50	DHEA	
Cc1cc(C)c(C#N)c(SC[C@]23CCCC[C@H]2CC(=O)O3)n1	915566961	GOPKIVDFAHWHPJ-SUMWQHHRSA-N	316.426	3.538	30	50	DHEA	
Cc1c(OCc2ccccc2)cccc1B1OC(C)(C)C(C)(C)O1	1772572693	KXMJQTLMBOOCKY-UHFFFAOYSA-N	324.229	3.873	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2nc([C@H](C)CC)cs2)N=N1	2325892736	ZQBUTOWYKDNKRF-LLVKDONJSA-N	304.419	3.951	30	50	DHEA	
CCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1	5047748	GKSDCQJVLVWBBE-AWNIVKPZSA-N	309.365	3.940	30	50	DHEA	
C#CCN(CC=C)Cc1nc(-c2ccc(Cl)cc2)oc1C	20472207	IYNKRJVQBIETLG-UHFFFAOYSA-N	300.789	3.925	30	50	DHEA	
N#Cc1c(-c2cccc(O)c2)cc(-c2ccc(F)cc2)nc1N	67955611	GUJMLPAMTKQWIR-UHFFFAOYSA-N	305.312	3.714	30	50	DHEA	
COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C#N)c(C#N)c1	152594746	FMNZFPRIHRBURP-ZDUSSCGKSA-N	319.364	3.571	30	50	DHEA	
C#CCCc1noc(Cc2coc(-c3ccc(Cl)cc3)n2)n1	225593827	GOYMWYOQLGNHBT-UHFFFAOYSA-N	313.744	3.535	30	50	DHEA	
C=CCn1c(SCc2ccccc2)nnc1-c1cccnc1	613068	TZMADBVWRWQIRF-UHFFFAOYSA-N	308.410	3.818	30	50	DHEA	
Cc1ccc(S(=O)(=O)O[C@@H](C)[C@@H](C)c2ccccc2)cc1	4533245	XUZPCBIKUJUCJI-CABCVRRESA-N	304.411	3.893	30	50	DHEA	
CC(C)(C)CN(CCC#N)C(=O)c1ccc2nc(S)oc2c1	155918944	MDZIOMODCOTPKD-UHFFFAOYSA-N	317.414	3.518	30	50	DHEA	
CCc1nc(C)cn1Cc1csc(-c2ccc(C#N)cc2)n1	2325858901	GDHRRXSXSJIZAV-UHFFFAOYSA-N	308.410	3.797	30	50	DHEA	
Fc1ccc(/C=N/Nc2nc3ccccc3nc2Cl)cc1	4947415	HVQMTRXPNMEKPJ-GIJQJNRQSA-N	300.724	3.868	30	50	DHEA	
N#Cc1cccc(CN2CCC[C@H](C(=O)Cc3ccccc3)C2)c1	72129682	UYYWEIQVCPMVIM-FQEVSTJZSA-N	318.420	3.582	30	50	DHEA	
Cc1ccc(C[C@H]2CCN2c2nnc(C3CC3)cc2C#N)c(C)c1	2325824482	CJHZYCVXTUYDCH-GOSISDBHSA-N	318.424	3.664	30	50	DHEA	
C=CCn1c(=S)sc2c(=O)[nH]c(-c3ccc(F)cc3)nc21	109348	RSUGJJOLFRGRDE-UHFFFAOYSA-N	319.386	3.508	30	50	DHEA	
C=CCSC1=N/C(=C\c2cc(OC)ccc2OC)C(=O)S1	3000890	ZOVRQJPBASIQOX-XFXZXTDPSA-N	321.423	3.593	30	50	DHEA	
C=C(C)Cn1c(-c2ccccc2)nnc1N(C)Cc1ccoc1	670220510	LXHDLWBVKZXLAH-UHFFFAOYSA-N	308.385	3.751	30	50	DHEA	
CCCCOc1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cc1	13686593	GJOUQGPKJDBKFQ-UHFFFAOYSA-N	324.409	3.542	30	50	DHEA	
O=[N+]([O-])c1ccc(O)c(/C=N/N=C2\C[C@@H](c3ccccc3)N=N2)c1	100821775	OBQPOCLELMOPJG-PTAGPQQBSA-N	323.312	3.630	30	50	DHEA	
Cn1c(N2CCC[C@@H]2c2cc(F)ccc2F)nc(Cl)c1C#N	2325802385	DRZWRFJOJFLYFK-GFCCVEGCSA-N	322.746	3.565	30	50	DHEA	
C/C(=N\Nc1nc(C)cc(-c2ccccc2)n1)c1ccc(N)cc1	4595753	HEVIDEKEDUSGPY-OEAKJJBVSA-N	317.396	3.870	30	50	DHEA	
C=C(C)CNC(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2	12716558	JQHLVXICGCCNLD-QGZVFWFLSA-N	323.392	3.630	30	50	DHEA	
N#Cc1cc(C(=O)N2CCCc3cc(F)cc(F)c32)ccc1F	170617678	JXKPURFLEYMYAM-UHFFFAOYSA-N	316.282	3.569	30	50	DHEA	
C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1cccc2ccc(OC)cc12	239433652	YGTRLBKHIZAVEL-CLUDHOEWSA-N	323.436	3.778	30	50	DHEA	
O=C1CCCC2=C1C(Cc1ccccc1)C1=C(CCCC1=O)O2	267006	SZLRBWDPLZSMDK-UHFFFAOYSA-N	308.377	3.890	30	50	DHEA	
COc1ccc(C(=O)/C=C/Nc2ccc(OC)cc2OC)cc1	4359269	QGUHYMSKZBNAOO-ZHACJKMWSA-N	313.353	3.521	30	50	DHEA	
O=C1C2=Cc3ccccc3O[C@@]2(C(F)(F)F)Oc2ccccc21	6668633	OZASDNIVRBIAPI-MRXNPFEDSA-N	318.250	3.996	30	50	DHEA	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N	6701790	QLEVECSGWDECFW-LLVKDONJSA-N	300.745	3.618	30	50	DHEA	
N#Cc1cccnc1NCc1cccnc1Oc1ccccc1F	67908566	XNJDKUKECRUDNB-UHFFFAOYSA-N	320.327	3.892	30	50	DHEA	
COc1ccc2c(c1)CCC/C2=N/OCc1c(C)noc1C	120386035	CUKVMNHNSGPXHX-ZPHPHTNESA-N	300.358	3.557	30	50	DHEA	
CC1(C)OB(c2cccc(NCc3ccccc3)c2)OC1(C)C	195864612	WAGWJZGRZKBLHO-UHFFFAOYSA-N	309.218	3.598	30	50	DHEA	
CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C	253624348	OGUASZAAVFYYIL-IOXPTURASA-N	314.425	3.836	30	50	DHEA	in-vitro
O/C(=N/[C@@H]1CCOc2c(Br)cccc21)c1ccoc1	328586662	VAOVXYWLJAUIOM-GFCCVEGCSA-N	322.158	3.871	30	50	DHEA	
Cc1ccc(Cn2ccc(-c3ccccc3)c(C#N)c2=O)cc1	1401904	QNFWQBCDRZLBDS-UHFFFAOYSA-N	300.361	3.744	30	50	DHEA	
Cc1ccc(S(=O)(=O)O[C@H](C)[C@@H](C)c2ccccc2)cc1	4533246	XUZPCBIKUJUCJI-HUUCEWRRSA-N	304.411	3.893	30	50	DHEA	
C=C(C)COc1ccc(C(=O)NCc2ccc(OC)cc2)cc1	12406118	BEXQORKDERALPP-UHFFFAOYSA-N	311.381	3.580	30	50	DHEA	
C=C(C)COc1ccccc1CN(Cc1cnn(C)c1)C1CC1	55119889	JPUNWATXCPZHIR-UHFFFAOYSA-N	311.429	3.540	30	50	DHEA	
CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CCC1	200492482	IGCLFRZDEQPRFX-UHFFFAOYSA-N	323.242	3.575	30	50	DHEA	
CSc1cccc(CN(C(=O)c2cc(C#N)c[nH]2)C(C)C)c1	952971456	ONADFJICNPTGEQ-UHFFFAOYSA-N	313.426	3.659	30	50	DHEA	
COc1ccc(OC)c(N/C(S)=N/Cc2ccccc2)c1	6823269	XESZCGGLNWYISI-UHFFFAOYSA-N	302.399	3.602	30	50	DHEA	
Cc1ccc2c(c1)CC[C@H](C(O)=Nc1cnn(CC(C)C)c1)O2	330006648	FFFPQGWFUNGBIQ-QGZVFWFLSA-N	313.401	3.829	30	50	DHEA	
CC#CC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)c(Cl)c1	1875376914	MVXAEIQRWQWYDA-SECBINFHSA-N	303.711	3.902	30	50	DHEA	
N#Cc1sc2nc3c(c(-c4cccnc4)c2c1N)CCCC3	614438	WXZXPXKIRFBFCY-UHFFFAOYSA-N	306.394	3.691	30	50	DHEA	
C[C@@H]1CCCN(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1	1875264934	PXUXRAQECKUANE-NJAFHUGGSA-N	311.429	3.610	30	50	DHEA	
C=CCNC(=O)[C@H]1CC1(c1ccc(C)cc1)c1ccc(C)cc1	5091756	IWMVOIOBRDCWPN-LJQANCHMSA-N	305.421	3.912	30	50	DHEA	
CC1(C)OB(c2ccc(C(F)(F)C(F)(F)F)cc2)OC1(C)C	725343662	DVVCYFRDZZORQX-UHFFFAOYSA-N	322.082	3.640	30	50	DHEA	
Cc1ccc[n+]([C@H](C)C(=O)c2ccc(Br)cc2)c1C	3131047	PLOUPVQHSIBBQU-CYBMUJFWSA-N	319.222	3.797	30	50	DHEA	
C=CCc1ccc(OCCn2cnc3ccccc32)c(OC)c1	4331291	XMVFSPDKGOQMTG-UHFFFAOYSA-N	308.381	3.852	30	50	DHEA	biogenic
C=CCn1cc(CN(Cc2ccccn2)Cc2ccco2)c(C)n1	55252980	AGAJSWPLEDGOOS-UHFFFAOYSA-N	322.412	3.568	30	50	DHEA	
C=CCOc1cccc(NC(=O)N(C)CC[C@@H]2CCCCO2)c1	299803027	UTDWEQSTUITDOX-INIZCTEOSA-N	318.417	3.674	30	50	DHEA	
Cc1cc(Oc2ccc(C#N)cc2)nc(-c2ccccc2O)n1	275579	DZIXUAJOUOGMTO-UHFFFAOYSA-N	303.321	3.822	30	50	DHEA	
CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C)cc1	4138387	OLRDRQUZVUGTAM-QGZVFWFLSA-N	315.413	3.860	30	50	DHEA	
COc1ccc(C(=O)/C=C/Nc2ccccc2F)cc1OC	4179864	VXZXYUPGOHKCAG-MDZDMXLPSA-N	301.317	3.651	30	50	DHEA	
O=C1C=CC(=C(c2ccc(O)cc2)c2ccccc2C(=O)O)C=C1	4143879	GGCFKQBFXFYVGD-UHFFFAOYSA-N	318.328	3.587	30	50	DHEA	in-vitro
N#Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1	5868614	MBNJXRURMXBUIU-UHFFFAOYSA-N	320.270	3.595	30	50	DHEA	
C=CCCS(=O)(=O)N1CCCCC[C@@H]1c1ccc(CC)o1	120863918	KSXOQNOFIXTXPZ-OAHLLOKOSA-N	311.447	3.665	30	50	DHEA	
CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccccc1	169995763	BFJBQZUGGMWTPV-UHFFFAOYSA-N	323.245	3.622	30	50	DHEA	
CCCSc1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1	299785013	PVNVZMVVSBTGFI-ZDUSSCGKSA-N	303.431	3.956	30	50	DHEA	
N#C[C@@H](C(=O)CCCc1ccncc1)c1nc2ccccc2s1	2325855179	LBZSIGZVXRAMSX-AWEZNQCLSA-N	321.405	3.890	30	50	DHEA	
C=CCN1C(=O)S/C(=C/c2cc(Cl)ccc2OC)C1=O	1134020	VMVYOGRDSNMGTD-XYOKQWHBSA-N	309.774	3.571	30	50	DHEA	
C=CCNC1=NN=C(c2ccc(Cl)cc2Cl)CS1	6947650	PRQVBUBLMIIQHJ-UHFFFAOYSA-N	300.214	3.576	30	50	DHEA	
CCCc1nc(N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c1CC	19706923	MTVYHWUBVYQIOV-UHFFFAOYSA-N	310.357	3.626	30	50	DHEA	
C=C(C)COc1cccc(CN[C@H](C)Cn2nc(C)cc2C)c1	55133466	PYTPGRHAOAZINP-MRXNPFEDSA-N	313.445	3.633	30	50	DHEA	
CCc1nc(C)c(-c2cc(-c3cccs3)nc(N)c2C#N)[nH]1	67868580	BGFHNKLNAWESTF-UHFFFAOYSA-N	309.398	3.525	30	50	DHEA	
C=CCOc1cccc([C@@H]2CC(=O)Nc3c2cnn3C(C)C)c1	72119133	VYMJRYHUBOLDDE-HNNXBMFYSA-N	311.385	3.503	30	50	DHEA	
N#C[C@@H](C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccccn1	221990559	ZSQJFDAHFBWFHM-FEOAFNLJSA-N	314.816	3.836	30	50	DHEA	
Cc1ccc(NC(=O)N(C)Cc2cc(C(C)C)on2)cc1C#N	299775793	KMWKCOZZBXIZAI-UHFFFAOYSA-N	312.373	3.642	30	50	DHEA	
C[C@@H]1CCCCCN1/C(O)=N/Cc1cc(COC(C)(C)C)on1	328595296	QMLIQRVIDRPHOZ-CYBMUJFWSA-N	323.437	3.668	30	50	DHEA	
C=C[C@H]1CCCCN1C(=O)Nc1nc2ccc(C)nc2s1	932692985	LRIMBCDIDJPVJG-NSHDSACASA-N	302.403	3.572	30	50	DHEA	
CC(=O)C(=CNc1cc(C(F)(F)F)ccc1Cl)C(C)=O	83881	ZKXBKIHVHAGIRH-UHFFFAOYSA-N	305.683	3.833	30	50	DHEA	
C=CCSc1nc(N)c2c3c(sc2n1)CO[C@@H](C(C)C)C3	2302500	XFNPYORXNACZFD-SNVBAGLBSA-N	321.471	3.649	30	50	DHEA	
CCN(CC)c1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])cc1	4045040	YHPMEURPDHHXNH-QGOAFFKASA-N	312.373	3.887	30	50	DHEA	
C/C(=N\Nc1cc(C)nc(-c2ccccc2O)n1)c1ccccc1	15962474	IFHWVZBKKYBLBP-HYARGMPZSA-N	318.380	3.994	30	50	DHEA	
Fc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1	228728	PQLZJFWFQHLOLW-DEDYPNTBSA-N	317.795	3.635	30	50	DHEA	
CCN1C(=O)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1F	1384120	NDZFXJRVGPALFC-QGZVFWFLSA-N	322.339	3.520	30	50	DHEA	
O/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1	6926347	QJAJKEMENRVWKH-CAOOACKPSA-N	324.149	3.975	30	50	DHEA	
N#Cc1ccc(N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)nc1	170024433	AEHBLUOYFCQCET-MOPGFXCFSA-N	321.424	3.826	30	50	DHEA	
Cc1ccc(Cn2ccc(-c3cccs3)c(C#N)c2=O)cc1	12954835	LSBIVSBSZXINAJ-UHFFFAOYSA-N	306.390	3.805	30	50	DHEA	
C=CCC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1	15076694	QDWPYLVOSCNMEK-HXUWFJFHSA-N	318.505	3.847	30	50	DHEA	
N#Cc1cccnc1Oc1ccc(CN2CCCC2)cc1Cl	67822029	WHBQHMDYBWRJPN-UHFFFAOYSA-N	313.788	3.995	30	50	DHEA	
C=CC[C@H]1CCCN(Cc2cc(C)c(OCC(=O)O)c(C)c2)C1	902281259	HZZKJYPYXCWWDF-INIZCTEOSA-N	317.429	3.555	30	50	DHEA	
C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]32)C/C1=N\N	1857525070	WYIOTJMJDQSAEQ-KWQLSYFKSA-N	318.505	3.951	30	50	DHEA	
C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cccs1)C2	2499268	PPXOABTYJCOVCN-LLVKDONJSA-N	315.394	3.640	30	50	DHEA	
C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N	6701789	QLEVECSGWDECFW-NSHDSACASA-N	300.745	3.618	30	50	DHEA	
Cc1cc(C)c(/C=N/NC(=S)NC2CCCCC2)c(C)c1	71782646	HUFODKGRZMGVCO-WOJGMQOQSA-N	303.475	3.743	30	50	DHEA	
Cc1ccc(C=Nn2c(S)nnc2C2CCCCC2)s1	244678690	IIKSNYJHBPELFK-UHFFFAOYSA-N	306.460	3.867	30	50	DHEA	
CCCCCC/C=C\CCCCCCC(=O)OC[C@H](O)CO	1501016316	OYOBZNGORNIQRL-ZPUOCTKUSA-N	314.466	3.750	30	50	DHEA	
CC(=O)ON1[C@H](c2ccccc2)N=C(c2ccccc2)C1(C)C	275568	DOQZPYSEPBIHSG-GOSISDBHSA-N	308.381	3.747	30	50	DHEA	
Cc1nnc(SCc2cccc(C#N)c2)n1Cc1ccccc1	5077747	ZHPRUERFCNLVFJ-UHFFFAOYSA-N	320.421	3.799	30	50	DHEA	
CN(C)c1ccnc(SCc2ccccc2Cl)c1C#N	20813928	NUHVXLHZDLUZRC-UHFFFAOYSA-N	303.818	3.965	30	50	DHEA	
N#Cc1c(-c2cccc3cnccc23)cc(-c2ccc[nH]2)nc1N	71751162	KKQSMSHUSFZXBQ-UHFFFAOYSA-N	311.348	3.746	30	50	DHEA	
O/C(=N/C[C@H]1CCOc2ccccc21)NC1CCC(F)(F)CC1	328857011	DCNDQTUSQJSMFV-GFCCVEGCSA-N	324.371	3.634	30	50	DHEA	
Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1	2770789	REFFUKDNGCERQY-OLZOCXBDSA-N	306.291	3.724	30	50	DHEA	
CCCCOc1ccc(/C=N/Nc2nccnc2Cl)cc1	4595735	PDHUMURJTOUOQQ-YBFXNURJSA-N	304.781	3.755	30	50	DHEA	
N#C[C@H]1CCC[C@@H]1OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	253426201	YPDSHJNZCBDRLA-ACJLOTCBSA-N	308.381	3.896	30	50	DHEA	
N#Cc1c(Oc2cccnc2)nc2c(c1C#N)CCCCCC2	279953272	BJIOXEGVTHMFLF-UHFFFAOYSA-N	304.353	3.671	30	50	DHEA	
COc1ccc(OC)c(N/C(S)=N\Cc2cccs2)c1	8684804	FIZHSFYGDMKZKQ-UHFFFAOYSA-N	308.428	3.663	30	50	DHEA	
CCc1ccc(C=Nn2c(S)nnc2-c2ccc(C)cc2)cc1	252429304	AWSSWYVBDWKJLL-UHFFFAOYSA-N	322.437	3.987	30	50	DHEA	
CCc1ccc([C@@H]2C[C@H](C(F)F)n3ncc(C#N)c3N2)cc1	2783795	GYMVGPYZBBRGNO-UONOGXRCSA-N	302.328	3.680	30	50	DHEA	
C=C(C)COc1ccc(C(=O)Nc2ccccc2NC(C)=O)cc1	6743123	HHWDCDXMBBPVJI-UHFFFAOYSA-N	324.380	3.852	30	50	DHEA	
CCc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1	2770948	RQQDWMLGAMMXFB-UONOGXRCSA-N	320.318	3.977	30	50	DHEA	
COc1ccccc1N/C=C/C(=O)c1ccc(OC)c(OC)c1	4179391	DHAWWGXXJOXNFZ-ZHACJKMWSA-N	313.353	3.521	30	50	DHEA	
C=C(C)CN(CC)Cc1cc(Br)c(O)c(OC)c1	4988926	PAGMTDMJUDGUPF-UHFFFAOYSA-N	314.223	3.561	30	50	DHEA	
C=CCOc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1OC	16474432	AZYLXHCDYAKSPM-VURMDHGXSA-N	316.313	3.635	30	50	DHEA	
O=C(/C=C\c1ccco1)C[C@](O)(c1ccccc1)C(F)(F)F	16667464	WYUBMIXXGNCFQS-CDNLZTBQSA-N	310.271	3.702	30	50	DHEA	
C=CCN(Cc1ccccc1C)C(=O)CC[C@@H]1CCCN(C)C1	55196557	BYYGONRLGBJDND-SFHVURJKSA-N	314.473	3.632	30	50	DHEA	
CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)N2CCCCCC2)n1	125194407	CJAUHRZWOJRZTP-UONOGXRCSA-N	319.474	3.707	30	50	DHEA	
CC(C)(C)OC(=O)N[C@@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1	169746149	BQDDQHLYCAQNMX-CYBMUJFWSA-N	323.242	3.621	30	50	DHEA	in-vitro
C=CCc1cccc(C(C)C)c1NC(=O)NC1CC(C(=O)O)C1	871656520	MKJCIYCKTVFOCN-UHFFFAOYSA-N	316.401	3.523	30	50	DHEA	
C=CCC(C)(C)c1nccn1-c1ccc2c(c1)nc([C@@H](C)O)n2C	1775981851	XEAQUOUWYXEKLN-CYBMUJFWSA-N	324.428	3.666	30	50	DHEA	
Cc1c(C#N)c(N(C)CCC[C@H]2CCCO2)nc2ccccc12	1857674076	PVUFTWNMFWUNQN-HNNXBMFYSA-N	309.413	3.810	30	50	DHEA	
CC1(C)CC[C@@]2(CCN2C(=O)C#Cc2ccccc2Cl)C1	2325829410	JHRJVJKDRZJVSV-GOSISDBHSA-N	301.817	3.873	30	50	DHEA	
CC(C)(C)C1CCC(=NNS(=O)(=O)c2ccccc2)CC1	4372784	NWCHUGDAHKQWIX-UHFFFAOYSA-N	308.447	3.557	30	50	DHEA	
COc1cc(-c2nc(C)c(C)c(C)c2C#N)cc(OC)c1OC	215363121	FWTYODWZIRLDDY-UHFFFAOYSA-N	312.369	3.571	30	50	DHEA	
Cc1nn(CC2CCC(c3ccccc3)CC2)c(=O)c(C#N)c1C	332394152	NOZPXZPOWPEKRA-UHFFFAOYSA-N	321.424	3.706	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2ccc(CN3CCCC3)cc2)N=N1	952881106	KIUYPZAHRVEGDZ-UHFFFAOYSA-N	324.428	3.577	30	50	DHEA	
C[C@@H]1CCc2cc(C#N)c(NC[C@H]3CCCCS3)nc2C1	1875336928	KFYCKZQGHDFEKZ-IUODEOHRSA-N	301.459	3.776	30	50	DHEA	
Cc1cc(C)c(C#N)c(SC[C@H]2COc3ccccc3O2)n1	266904	OZODCRVNXSUEMZ-CYBMUJFWSA-N	312.394	3.502	30	50	DHEA	
Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(F)c(C#N)c2)s1	278917601	RMQYSKWLTXHNHG-JTQLQIEISA-N	317.389	3.604	30	50	DHEA	
C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C#N)ccc2O1	826798848	CLTIMZHVNSDPAB-ZDUSSCGKSA-N	301.349	3.734	30	50	DHEA	
C=CCOc1ccc(N(C(=O)c2ccccc2)C(=O)N(C)C)cc1	2546504	UHOLFHAIWYPZIA-UHFFFAOYSA-N	324.380	3.580	30	50	DHEA	
Cc1sc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c(C#N)c1C	2872791	INTNQWYBQGMMKT-LLVKDONJSA-N	303.214	3.759	30	50	DHEA	
O=C(O)[C@@H](Cc1ccc(O)cc1)/N=C/c1ccc2ccccc2c1	19893868	JCMOAMHQUCBWHZ-DBRLUCFCSA-N	319.360	3.660	30	50	DHEA	
N#Cc1ccc(C(=O)NC2(c3cccc(F)c3)CC2)cc1Cl	157492395	VDXKBRKMRMXTSL-UHFFFAOYSA-N	314.747	3.770	30	50	DHEA	
CC1(C)CN(C(=O)c2sccc2C#N)CC[C@H]1C(F)(F)F	170611561	JVJKSKFAQRGEPJ-SNVBAGLBSA-N	316.348	3.670	30	50	DHEA	
N#Cc1cnccc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1	364347762	PFZWVFABXKAFNR-CYBMUJFWSA-N	324.453	3.673	30	50	DHEA	
N#Cc1nc([C@H]2C[C@H]2c2ccc(F)cc2)oc1N1CCCCC1	1775976765	UOVHRRIBPQSLLI-GJZGRUSLSA-N	311.360	3.947	30	50	DHEA	
Cc1c(C#N)sc2nc(-c3ccccc3)nc(/N=C/N(C)C)c12	4491399	YKXZQSLMBXHEQV-VXLYETTFSA-N	321.409	3.760	30	50	DHEA	
Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)no1	13327692	ROEXTVSPKLDIME-UHFFFAOYSA-N	315.398	3.828	30	50	DHEA	
CN(C)c1ccc([C@H]2CC(=O)C=C(Nc3ccccc3N)C2)cc1	18190122	BSMPRRPYVUPRQQ-OAHLLOKOSA-N	321.424	3.777	30	50	DHEA	
Cc1n[nH]c(=S)n1/N=C/c1cccc(Oc2ccccc2)c1	5730845	HSHCBYDRBKINGA-GZTJUZNOSA-N	310.382	3.924	30	50	DHEA	
CCn1nc(C)c([C@@H](C#N)N2N=C(C)C[C@@H]2c2ccccc2)c1C	12867988	PASFWUUMHKYUSI-QZTJIDSGSA-N	321.428	3.907	30	50	DHEA	
N#CC#Cc1ccc(NC(=O)OCC2[C@H]3CCC#CCC[C@H]23)cc1	585091565	WTBFSPHYGKPNMH-ROUUACIJSA-N	318.376	3.550	30	50	DHEA	
COc1cccc(/C=N/c2cc([N+](=O)[O-])ccc2Cl)c1O	2156372	MOAOBNAYMNRGJM-LZYBPNLTSA-N	306.705	3.713	30	50	DHEA	
COc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(OC)c1	3995531	ITRAGDODVWDDEE-RMKNXTFCSA-N	313.309	3.508	30	50	DHEA	biogenic
C=CCN(Cc1ccccn1)C(=O)[C@H](C)Oc1cc(C)ccc1C	55327603	KKLMJADEGGTWTL-KRWDZBQOSA-N	324.424	3.681	30	50	DHEA	
CC(C)(C)N1C(c2ccccc2)=NO[C@@H]1C#C[Si](C)(C)C	195529821	MUPUZYFQUYSBAT-OAHLLOKOSA-N	300.478	3.686	30	50	DHEA	
CC(C)C(=O)c1ccc([C@H](C)C(=O)N(C)C2(C#N)CCC2)cc1	253393256	XQMQOJCZBNMZJT-AWEZNQCLSA-N	312.413	3.533	30	50	DHEA	
OC(=Nc1ccc(N2CCCCC2)cn1)c1ncoc1C1CC1	328842675	PFDRNKFLJILOEL-UHFFFAOYSA-N	312.373	3.574	30	50	DHEA	
N#Cc1cnc(N2CC3(CCCCC3)[C@@H]2c2ccccc2)cn1	334133937	WUIDRIRNHYYJJL-SFHVURJKSA-N	304.397	3.860	30	50	DHEA	
OCC#Cc1csc(CN2CCCCC[C@@H]2c2ccco2)c1	828644627	ODCUUVHOSIOWSG-QGZVFWFLSA-N	315.438	3.802	30	50	DHEA	
C=CC[C@H]1c2cccc(C(=O)O)c2C(=O)N1c1cccc(C)c1	211897	NOKCGLVJNGPDKO-INIZCTEOSA-N	307.349	3.971	30	50	DHEA	
Cc1ccc([C@@H]2C[C@@H](C(F)F)n3ncc(C#N)c3N2)cc1C	2782739	BVCNAZAIFQRDMG-KBPBESRZSA-N	302.328	3.735	30	50	DHEA	
Cc1sc(NC(=O)[C@@H]2CCCO2)c(C#N)c1-c1ccccc1	13328543	NBPDSHFLWNBXLK-AWEZNQCLSA-N	312.394	3.713	30	50	DHEA	
C=CCN(Cc1ccccc1C)C(=O)CCc1ccccc1O	55359506	DEKXSHLPUNVCPH-UHFFFAOYSA-N	309.409	3.848	30	50	DHEA	
Cc1cc(-c2cc([C@H]3CCOC3)c(C#N)c(N)n2)ccc1Cl	71759543	BMDFTASXYVOQCU-LBPRGKRZSA-N	313.788	3.668	30	50	DHEA	
CC[C@@H](C)[C@H](OC)C(=O)Nc1cc(C(C)(C)C)sc1C#N	331183614	SQWSNEGBTQHXTO-YGRLFVJLSA-N	308.447	3.917	30	50	DHEA	
C=CCN(Cc1ccccc1OCC)C(=O)[C@@H](C)n1cccc1	55225560	UUSMZSXJBGANFF-MRXNPFEDSA-N	312.413	3.663	30	50	DHEA	
C[C@@H](SCc1ccccc1)C(=O)N1CCCC(C)(C)[C@@H]1C#N	225494846	IRMTUHJZOSINFR-ZBFHGGJFSA-N	316.470	3.849	30	50	DHEA	
N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2[C@H]2CCCc3ccccc32)c1	365784763	GJWVVIPCRCXPQW-PKOBYXMFSA-N	319.408	3.611	30	50	DHEA	
Cc1nc(C#N)ccc1C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1	1875369086	QCGSOHJIZRWAGQ-KSSFIOAISA-N	319.408	3.528	30	50	DHEA	
C=CCc1cc(C=O)cc(OC)c1OCc1ccccc1C#N	453631	OZAJLMWPVYCGRR-UHFFFAOYSA-N	307.349	3.687	30	50	DHEA	
C=C(C)COc1cc(CNc2ccc3[nH]nnc3c2)ccc1OC	120461478	CNAZGBJLIRVANQ-UHFFFAOYSA-N	324.384	3.534	30	50	DHEA	
C=C(C)Cn1nc([C@@H](C)OC)nc1-c1cccc(C#CC2CC2)c1	1875347684	CIHRLOHJTQHAGD-OAHLLOKOSA-N	321.424	3.990	30	50	DHEA	
N#Cc1ccccc1CN1CCC[C@H](c2nccn2CC2CC2)C1	82107050	YHIUZUYLPYSXJD-IBGZPJMESA-N	320.440	3.544	30	50	DHEA	
COc1ccc(COc2c(Br)cccc2C#N)cc1	575447826	GECJNOSLKHPNFI-UHFFFAOYSA-N	318.170	3.908	30	50	DHEA	
N#Cc1cccc(C(=O)Nc2ccccc2CN2CCCCC2)c1	826789894	RWUNVSKUBOKWBY-UHFFFAOYSA-N	319.408	3.796	30	50	DHEA	
COC[C@@H](Nc1nc(C)c2ccccc2n1)c1cccc(C#N)c1	2325865401	AYWDNKZWTHGJQA-GOSISDBHSA-N	318.380	3.610	30	50	DHEA	
COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2C)cc1	1241083	VQMNSCHXBWACCK-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
C=CCNCCOc1ccc2ccccc2c1Br	3461092	JCWQPPAERLCKBV-UHFFFAOYSA-N	306.203	3.757	30	50	DHEA	
O=C(/C=C\Nc1ccc2c(c1)OCO2)c1ccc(Cl)s1	13124971	DHLUCOJSPRZECR-WAYWQWQTSA-N	307.758	3.939	30	50	DHEA	
C=CC[C@@H](CC)NC(=O)Nc1cccc(NC(=O)C(C)C)c1	253430064	HWJJDCYTQKZQKL-CYBMUJFWSA-N	303.406	3.757	30	50	DHEA	
CC1(C)OB(c2ccccc2OCCc2ccccc2)OC1(C)C	310515212	UANUIVUGJKLYIE-UHFFFAOYSA-N	324.229	3.607	30	50	DHEA	
O=C1C(=O)c2ccccc2/C1=C/c1ccc(Br)cc1	2842579	JJZJQTGAFYLBPI-ZROIWOOFSA-N	313.150	3.755	30	50	DHEA	
C=CCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1	2905197	NCXNYRVRWWHYEA-UHFFFAOYSA-N	318.384	3.957	30	50	DHEA	
C=CCCC(=O)N[C@@H]1CCCc2c1cnn2-c1cc(C)cc(C)c1	15067269	VTNOQBVPEFJIRX-GOSISDBHSA-N	323.440	3.949	30	50	DHEA	
C=CC[C@@]1(C(=O)O)CCCN(C/C=C/c2ccc(F)cc2)C1	91444911	RIKABOIQGBAPAC-YWPBOTNQSA-N	303.377	3.582	30	50	DHEA	
CCc1nc(-c2ccc(C#N)cc2)cc(-c2c(C)noc2C)n1	823550849	YFGUFHVWVVNUTD-UHFFFAOYSA-N	304.353	3.850	30	50	DHEA	
C#CCCC1(CCC(=O)NCc2cc(C3CC3)ccc2F)N=N1	952881687	PLQBIDMITFBXRI-UHFFFAOYSA-N	313.376	3.675	30	50	DHEA	
C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cc(-c2ccc(C)o2)[nH]n1	1506417137	LCYHMSMWKSZELG-TZMCWYRMSA-N	311.385	3.713	30	50	DHEA	
Fc1ccccc1/C=N/N1CCN(c2ccc(Cl)cc2)CC1	228707	BZDATDYMGCKXJP-DEDYPNTBSA-N	317.795	3.635	30	50	DHEA	
O=C(/C=C/Nc1ccccc1O)c1ccc(Br)cc1	433588	PCCILOODUCPGCL-MDZDMXLPSA-N	318.170	3.963	30	50	DHEA	
CC(C)(C#N)c1nc(Cc2csc(-c3ccccc3)n2)no1	273653130	DJCWGGIKRNAPDA-UHFFFAOYSA-N	310.382	3.585	30	50	DHEA	
N#Cc1ccc(C(=O)Nc2ccccc2OC(F)F)c(F)c1	557713	FDUYZGCXMCHNFV-UHFFFAOYSA-N	306.243	3.551	30	50	DHEA	
Cn1c([C@H]2CCCN2Cc2cccc(C#N)c2)nc2c1CCCC2	275463021	HGXAIJALUUBIMK-LJQANCHMSA-N	320.440	3.508	30	50	DHEA	
N#C[C@H]1CC[C@H](N2CC(Cc3cccc(Br)c3)C2)C1	888095894	DXBSMSXNZWGCBY-BBRMVZONSA-N	319.246	3.616	30	50	DHEA	
O=C(C[n+]1cn(C(F)F)c2ccccc21)c1ccc(Cl)cc1	2546688	VBRFIILRZJRQIX-UHFFFAOYSA-N	321.734	3.860	30	50	DHEA	
COc1ccc(NC=C2C(=O)CC(c3ccccc3)CC2=O)cc1	125723	WZFZCOMHQZOKHT-UHFFFAOYSA-N	321.376	3.707	30	50	DHEA	
COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(N(C)C)cc1)C2	2380670	HDVCLPMRJWHUAA-DHDCSXOGSA-N	323.392	3.592	30	50	DHEA	
CC(/C=N/n1c(-c2cccnc2)n[nH]c1=S)=C\c1ccco1	5665553	AUOLMYSBQWFIER-LQLUBKQVSA-N	311.370	3.533	30	50	DHEA	
Cc1cc(C)c(C#N)c([S@](=O)Cc2ccc(Cl)cc2)n1	6660769	WYEQFQISOGUQOM-FQEVSTJZSA-N	304.802	3.531	30	50	DHEA	
CC(C)c1cc(-c2cccn2-c2ccccn2)c(C#N)c(N)n1	67726511	PSUFSESPPKYWOH-UHFFFAOYSA-N	303.369	3.512	30	50	DHEA	
COc1cc(C#N)ccc1OC[C@H]1CCCN(CC=C(C)C)C1	1875245576	GLKNAUOOLPIRDU-KRWDZBQOSA-N	314.429	3.624	30	50	DHEA	
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C#N)c3N2)s1	2766579	BTVYRQUGPDQKAD-ONGXEEELSA-N	312.320	3.785	30	50	DHEA	
COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC	4276690	WXPAWDMWSJYTRJ-RUDMXATFSA-N	316.328	3.748	30	50	DHEA	
N#CCc1c(F)c(Br)cc(F)c1Br	263624696	SSQXBNXITKXRTI-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
N#Cc1nc([C@H]2C[C@@H]2c2cccc(F)c2)oc1N1CCCCC1	1775976219	PJPDJZRBAOYJGR-CABCVRRESA-N	311.360	3.947	30	50	DHEA	
N#Cc1nc([C@@H]2C[C@@H]2c2cccc(F)c2)oc1N1CCCCC1	1775976222	PJPDJZRBAOYJGR-HUUCEWRRSA-N	311.360	3.947	30	50	DHEA	
O=C(/C=C\c1ccco1)C[C@@](O)(c1ccccc1)C(F)(F)F	16667466	WYUBMIXXGNCFQS-WHLNPGIBSA-N	310.271	3.702	30	50	DHEA	
F[C@H](C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)F	95676651	JOROOXPAFHWVRW-UWTATZPHSA-N	300.067	3.694	30	50	DHEA	in-vitro
Cn1/c(=N/N=C/c2cc(Cl)ccc2O)sc2ccccc21	100891310	SIICSJZQMSGWQS-JTWUEKBUSA-N	317.801	3.534	30	50	DHEA	
Fc1ccccc1C=NN1CCN(c2ccc(Cl)cc2)CC1	245238001	BZDATDYMGCKXJP-UHFFFAOYSA-N	317.795	3.635	30	50	DHEA	
N#CC(C#N)Cc1ccc(Br)cc1C(F)(F)F	390822243	BPFZUCBOKZAYKH-UHFFFAOYSA-N	303.081	3.674	30	50	DHEA	
CCOc1ccc(C(=O)/C=C/C(=O)Nc2ccc(F)cc2)cc1	87465	WLLCRGLVMAKYAZ-VAWYXSNFSA-N	313.328	3.602	30	50	DHEA	
Cc1ccc(N/C(S)=N\Cc2ccc3c(c2)OCO3)cc1C	8683493	JKNLGMFKGWOASH-UHFFFAOYSA-N	314.410	3.930	30	50	DHEA	
CCc1ccc(C=Nn2c(S)nnc2-c2ccccc2)cc1	244748475	OIFSSVFEOYXIIW-UHFFFAOYSA-N	308.410	3.678	30	50	DHEA	
CC[C@H](O)/C=C/[C@@H]1C=CC(=O)[C@H]1CCCCCCCC(=O)O	299817247	OXXJZDJLYSMGIQ-NLNRVJQUSA-N	308.418	3.500	30	50	DHEA	in-vitro
C#CCCC1(CCC(=O)N2CCc3cccc(F)c3[C@@H]2C)N=N1	952881773	QALZBTYKMGDNEQ-ZDUSSCGKSA-N	313.376	3.627	30	50	DHEA	
Cc1ncc(CNc2nccc(Oc3cccc(C#N)c3)n2)s1	1306943899	ASPFYFQXKQEHFK-UHFFFAOYSA-N	323.381	3.518	30	50	DHEA	
CN(C)c1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1	4982359	LLKPHSSHGKPMAN-AWQFTUOYSA-N	308.307	3.612	30	50	DHEA	
O=[N+]([O-])c1ccc(N/N=C/c2cccc(Br)c2)cc1	4990038	PCLZELKHPODGSR-OQLLNIDSSA-N	320.146	3.803	30	50	DHEA	
C=CCN(C1CCCC1)[C@H](C(=O)O)c1cc(C)ccc1OC	55327817	YPZWNXWCPCNAFD-KRWDZBQOSA-N	303.402	3.560	30	50	DHEA	
C=CCN(Cc1ccc(NC(C)=O)cc1)Cc1cccc(OC)c1	55371219	NYECQNZQPNBOIE-UHFFFAOYSA-N	324.424	3.842	30	50	DHEA	
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\O)C2=O	257345845	LAAMRAVHROVLSR-LKQOCNBCSA-N	316.441	3.931	30	50	DHEA	
C=CCN(Cc1ccc(Cl)nc1)Cc1cccc(OC)c1	55200230	CXNNNPXTDXZDDQ-UHFFFAOYSA-N	302.805	3.932	30	50	DHEA	
N#Cc1ccc(N2CCCC[C@@H]2c2nccs2)c([N+](=O)[O-])c1	299664158	NWRKMRZEISGVAQ-CYBMUJFWSA-N	314.370	3.655	30	50	DHEA	
C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1ccccc1C#N	408514977	QJTCMPPCLVPOHC-LBPRGKRZSA-N	319.813	3.888	30	50	DHEA	
Cc1sc(NC(=O)c2ccnn2C)c(C#N)c1-c1ccccc1	372157	GWIGVNUZECOEDV-UHFFFAOYSA-N	322.393	3.581	30	50	DHEA	
C=CCn1c(SC)nc2c(c1=O)C(C)(C)Cc1ccccc1-2	495488	SIDJSPOOOCKHMT-UHFFFAOYSA-N	312.438	3.652	30	50	DHEA	
COc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1	4948408	GIIJJSVNYMYHHB-RVDMUPIBSA-N	310.378	3.587	30	50	DHEA	
COc1ccc(/N=C(\S)Nc2ccc3nccnc3c2)cc1	8683499	QZPCJJRASLLHBS-UHFFFAOYSA-N	310.382	3.668	30	50	DHEA	
Cc1ccc(-c2noc(CCc3ccc(C#N)cc3)n2)cc1F	109506762	MVRWGDJVZZYOMF-UHFFFAOYSA-N	307.328	3.841	30	50	DHEA	
CCc1ccc([C@H](C#N)N(C)C(=O)c2cc(Cl)ccn2)cc1	328595517	XCOLSZRBIZEMTJ-INIZCTEOSA-N	313.788	3.634	30	50	DHEA	
Cc1cccc(NC2(C#N)CCN(Cc3ccccc3)CC2)c1	393838	VRQNYTJDMMMAQU-UHFFFAOYSA-N	305.425	3.965	30	50	DHEA	
C=CCOc1cccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1	4842987	XUZJIPUHACJWOQ-UHFFFAOYSA-N	312.325	3.720	30	50	DHEA	
N#CC(CCc1cc[nH]c(=O)c1)(c1ccccc1)c1ccccc1	91895175	ASWYXTZCLWOXMA-UHFFFAOYSA-N	314.388	3.817	30	50	DHEA	
CC(C)(C)c1cnc(N2CCC[C@@H]2[C@H]2CCCOC2)c(C#N)c1	1875287156	WRJJUEUXSXGTJR-WMLDXEAASA-N	313.445	3.646	30	50	DHEA	
Sc1nnc(-c2ccc(Cl)cc2)n1/N=C/c1ccccc1	5946293	QMEAJRWAEVGIKA-LICLKQGHSA-N	314.801	3.769	30	50	DHEA	
CC(C)n1ccnc1[C@H]1CCCN(Cc2ccc(C#N)cc2)C1	95362913	YNVSAWHDCNIGIP-SFHVURJKSA-N	308.429	3.715	30	50	DHEA	
N#C[C@@H](C(=O)CCc1cccnc1)c1nc2ccccc2s1	915099576	XWTGIPQYTOWTNE-ZDUSSCGKSA-N	307.378	3.500	30	50	DHEA	
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]	53683257	JNGWKQJZIUZUPR-UHFFFAOYSA-N	300.487	3.988	30	50	DHEA	in-vivo
C=C(C)CNC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2	12716556	JQHLVXICGCCNLD-KRWDZBQOSA-N	323.392	3.630	30	50	DHEA	
COc1ccc(CC/N=C(/S)Nc2ccccc2C)cc1	13468563	OFRNGYGCYMOFPU-UHFFFAOYSA-N	300.427	3.944	30	50	DHEA	
CC(C)(O)C#Cc1ccc(-c2[nH]cnc2-c2ccccc2)cc1	65508995	VEIWBCXJKZUNQI-UHFFFAOYSA-N	302.377	3.866	30	50	DHEA	
CC(=O)CSc1nc(CC(C)C)cc(C(F)(F)F)c1C#N	67602197	XDSRFIVVLFNMBC-UHFFFAOYSA-N	316.348	3.852	30	50	DHEA	
C=CCN(Cc1cccnc1)C(=O)c1[nH]c2ccc(F)cc2c1C	71761449	BWOXRCBFTFNPRA-UHFFFAOYSA-N	323.371	3.839	30	50	DHEA	
N#Cc1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2	354158	ONINFKOEYCCERZ-UHFFFAOYSA-N	300.358	3.890	30	50	DHEA	
Cc1ccc(/C=N/n2c(S)nnc2-c2ccccc2F)s1	5969505	HOKAHCCXJDEKJY-LZYBPNLTSA-N	318.402	3.625	30	50	DHEA	
C=C(C)CN1CCN(Cc2ccc(OCCC)c(Cl)c2)CC1	952977532	BINFZWOYMPCWNT-UHFFFAOYSA-N	322.880	3.823	30	50	DHEA	
C#Cc1cccc(-c2cc3c(cc2OC(C)(C)C(=O)O)OCC3)c1	1615054908	CGWFPKVUBPCMMH-UHFFFAOYSA-N	322.360	3.512	30	50	DHEA	
Cc1ccc(S(=O)(=O)O[C@H](C)c2nc3ccccc3o2)cc1	3130406	SOAGIQPQAMJVHP-GFCCVEGCSA-N	317.366	3.603	30	50	DHEA	
CCOc1ccc(/C=C(\C)C(=O)c2c(C)cc(C)[nH]c2=O)cc1	5033735	DIONUPQTQFFGBD-ACCUITESSA-N	311.381	3.677	30	50	DHEA	
C#C[C@](O)(CCCC[C@@](O)(C#C)c1ccccc1)c1ccccc1	5908774	BJCMPOHEYNVCRV-VXKWHMMOSA-N	318.416	3.589	30	50	DHEA	
Nc1ccc(C(=O)/C=C/c2cccc(Br)c2)cc1	17030746	DKQLPQSRIIAAPZ-RUDMXATFSA-N	302.171	3.927	30	50	DHEA	
C#CCN(CC=C)Cc1c[nH]nc1-c1cccc2ccccc12	19742131	ZYWJWFUXFLMRJT-UHFFFAOYSA-N	301.393	3.851	30	50	DHEA	
C=CCOc1ccccc1CN1CCN(c2ccccc2C)CC1	71930847	MXYXFSGCIQLLHX-UHFFFAOYSA-N	322.452	3.882	30	50	DHEA	
Cc1cccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)c1	170615443	AHJODJLPLNGCNG-UHFFFAOYSA-N	310.401	3.745	30	50	DHEA	
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\O)C2=O	254711259	LAAMRAVHROVLSR-ZUWFRIHYSA-N	316.441	3.931	30	50	DHEA	
Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC(C)(C#N)CC2)c1	272499807	GOENJGJKRWXSCP-INIZCTEOSA-N	313.445	3.570	30	50	DHEA	
CC(C)c1ccc(NC(=O)C[n+]2ccc3ccccc3c2)cc1	2544904	MQLZZYMFMOSAED-UHFFFAOYSA-O	305.401	3.889	30	50	DHEA	
C[C@@H]1Cc2cc(-c3cc(-c4cc[nH]c4)nc(N)c3C#N)ccc2O1	71681156	IFLHFAFNHGQHDV-LLVKDONJSA-N	316.364	3.521	30	50	DHEA	
Cc1noc(C)c1[C@H](C)C/C(O)=N/CC1CCN(C2CC2)CC1	329938070	DXHFRAUDGXBXRD-GFCCVEGCSA-N	319.449	3.616	30	50	DHEA	
CCn1cc(C(=O)/C=C/c2ccc(OC(F)F)cc2)c(C)n1	6490232	KSUMNXKZXXJUSS-RMKNXTFCSA-N	306.312	3.709	30	50	DHEA	
Cc1cc(Cl)ccc1NC(=O)CSc1ncccc1C#N	7051730	UWRGRILXKJEJEG-UHFFFAOYSA-N	317.801	3.646	30	50	DHEA	
CCc1noc(C)c1C(=O)Nc1sc2c(c1C#N)CCCC2	13327287	OAYWULQFILPAFJ-UHFFFAOYSA-N	315.398	3.610	30	50	DHEA	
CN1C/C(=C/c2cccs2)C(=O)/C(=C/c2cccs2)C1	16901303	PLOKQQNJVRLWES-QRBCZBMESA-N	301.436	3.791	30	50	DHEA	
C=CCN(Cc1ccccc1C)Cc1ccccc1OCCO	55326795	XSQRRRYMERDJRJ-UHFFFAOYSA-N	311.425	3.554	30	50	DHEA	
CC(=O)C1(c2ccccc2)CCN(Cc2ccc(C#N)cc2)CC1	72151945	RUBGDSFUTVLUKZ-UHFFFAOYSA-N	318.420	3.681	30	50	DHEA	
C#CCCCC(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C	408514673	XKHIIBGGSAJKKV-UHFFFAOYSA-N	309.369	3.664	30	50	DHEA	
Cc1nc2cc(-c3cc(C4(C#N)CC4)ccc3F)cnc2n1C	1875303583	DVOJHJUAZRXKJJ-UHFFFAOYSA-N	306.344	3.638	30	50	DHEA	
Cc1cc(NCc2ccco2)n2c(nc3ccccc32)c1C#N	44199	UZZDOZFJXVHURU-UHFFFAOYSA-N	302.337	3.873	30	50	DHEA	
N#Cc1c(NC(=O)CSc2ccccc2)sc2c1CCC2	2679190	UEGKKIUWPFOOKS-UHFFFAOYSA-N	314.435	3.839	30	50	DHEA	
Cc1ccc2c(c1)[nH]c(=S)n2C=C1C(=O)CC(C)(C)CC1=O	5504095	MEGNRRXSHVICMC-UHFFFAOYSA-N	314.410	3.806	30	50	DHEA	
C=CCNCC[C@@H]1CCC(=O)N1[C@H](C)c1ccc(Cl)cc1	14954998	XKHYVTFVRABDSZ-CJNGLKHVSA-N	306.837	3.558	30	50	DHEA	
C=C/C(O)=N/[C@H](C)CC(O)=Nc1cccc(N2CCCC2)c1	328597258	GHABESZMGGWVCP-CYBMUJFWSA-N	301.390	3.796	30	50	DHEA	
C=C(C)Cn1nc([C@H](C)OC)nc1-c1cccc(C#CC2CC2)c1	1875347683	CIHRLOHJTQHAGD-HNNXBMFYSA-N	321.424	3.990	30	50	DHEA	
Cc1ccc(S(=O)(=O)OCC23CC4CC(CC(C4)C2)C3)cc1	4013870	SNDZRLLCQXBCQD-UHFFFAOYSA-N	320.454	3.917	30	50	DHEA	
CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1c(F)cccc1Cl	4520690	LERCTZBYUSKOAH-SECBINFHSA-N	321.779	3.726	30	50	DHEA	
c1ccc(COC[C@@H]2[C@@H](OCc3ccccc3)C[C@H]3O[C@H]32)cc1	22065835	YPDRJNPIGFCETD-WCIQWLHISA-N	310.393	3.576	30	50	DHEA	in-vitro
C=CC[C@]1(CO)CCCN(Cc2cc(C3CCCCC3)no2)C1	91416955	WJWKHZJHBNARQS-IBGZPJMESA-N	318.461	3.873	30	50	DHEA	
N#Cc1nc([C@@H]2C[C@H]2c2cccc(F)c2)oc1N1CCCCC1	1775976223	PJPDJZRBAOYJGR-LSDHHAIUSA-N	311.360	3.947	30	50	DHEA	
C=CCc1ccc(OCCN(C)Cc2ccccc2)c(OC)c1	4906269	BXJXEMVLLDOMRN-UHFFFAOYSA-N	311.425	3.935	30	50	DHEA	
O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccncc1	5335929	PWALHGSRQGWSSG-UKTHLTGXSA-N	315.785	3.627	30	50	DHEA	
CC1=C(C)[C@H](C)C/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	22015685	JXSREPDYSHGTGR-XCCBJHSLSA-N	304.306	3.647	30	50	DHEA	
C=CCc1cccc2cc(C(=O)Nc3ccccc3)c(=O)oc12	50816	KPHZRDWBOGIQEI-UHFFFAOYSA-N	305.333	3.774	30	50	DHEA	
C/C(Cc1nc2ccccc2[nH]1)=N/Nc1ccc([N+](=O)[O-])cc1	4946843	LAOYBNVXHKNRST-ODLFYWEKSA-N	309.329	3.502	30	50	DHEA	
C=CCCC(=O)N1CCC[C@H](CCc2cccc(OC)c2)C1	12195216	VUTHUCCIUKQEHP-QGZVFWFLSA-N	301.430	3.833	30	50	DHEA	
COc1cc2c(-c3cccc4c(C#N)nccc34)cn(C)c2cn1	2325865026	JZEGZYJWYXGEMU-UHFFFAOYSA-N	314.348	3.669	30	50	DHEA	
C=CCSC1=N/C(=C\c2ccccc2OCC)C(=O)S1	3003330	GFWOQEBKGUKCSN-BENRWUELSA-N	305.424	3.975	30	50	DHEA	
C=C(C)COc1cccc(CNC[C@@H](C)Oc2cccnc2)c1	55060743	GKJQLISMDVKKFN-MRXNPFEDSA-N	312.413	3.594	30	50	DHEA	
C[C@H](C#N)Oc1ccc(CNC[C@H]2CCO[C@@H]2C(C)(C)C)cc1	189234336	BBHWPGJQALYKPY-KYJSFNMBSA-N	316.445	3.518	30	50	DHEA	
CC1(C)OB(c2ccc([C@H](F)C(F)(F)F)cc2)OC1(C)C	757175813	YRNYXTQJAFLLSD-NSHDSACASA-N	304.092	3.559	30	50	DHEA	
CCOC(=O)[C@@H](C#N)[C@@]1(Cc2ccccc2)CCOC(C)(C)C1	206880	IVKJJYPTGRKTGJ-VQIMIIECSA-N	315.413	3.507	30	50	DHEA	
C=CCn1cc(CN(CC)Cc2ccccc2OCC)c(C)n1	55167066	JAZLHOIQCNJJST-UHFFFAOYSA-N	313.445	3.798	30	50	DHEA	
CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	59313713	HWGNOHFZECDUBX-UHFFFAOYSA-N	312.078	3.679	30	50	DHEA	
COC(=O)[C@H](Sc1nc(C)cc(C)c1C#N)c1ccccc1	377659	LCUPADFRLPRGSA-OAHLLOKOSA-N	312.394	3.577	30	50	DHEA	
C=C[C@@H](C)C[C@@H](C)[C@H](C#N)[C@H](O)COCc1ccc(OC)cc1	43763342	MAHSYVHBEXZZNK-VVWQDTPRSA-N	317.429	3.561	30	50	DHEA	
CCn1c([C@@H]2CCCN2c2cc(C#N)ccn2)nc2ccccc21	283967917	ZEZLHSDHELQZNV-KRWDZBQOSA-N	317.396	3.664	30	50	DHEA	
C/C(=N\N1CCN(c2ccccc2)CC1)c1ccccc1Cl	5494479	LBIKVUIQXLCMSG-HMMYKYKNSA-N	313.832	3.886	30	50	DHEA	
CC1=C/C(=N\OC(=O)c2ccccc2Cl)C(C(C)C)=CC1=O	12377454	CEPYYMNBYQSLGE-XDJHFCHBSA-N	317.772	3.964	30	50	DHEA	
N#Cc1ccc(N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)nc1	170024421	AEHBLUOYFCQCET-RBUKOAKNSA-N	321.424	3.826	30	50	DHEA	
Cn1nc(C(F)(F)F)c(-c2cc3ccccc3cn2)c1C#N	2325821328	FUCRQGLCFUNGGR-UHFFFAOYSA-N	302.259	3.526	30	50	DHEA	
CCOc1ccc(C(=O)Nc2ccccc2C#N)c(OCC)c1	6742394	SFCCXEWXAMFKLC-UHFFFAOYSA-N	310.353	3.608	30	50	DHEA	
C=C(C)COc1ccc(C(=O)NCc2ccc(Cl)nc2)cc1	55244415	SEYXETYFQKFMGT-UHFFFAOYSA-N	316.788	3.620	30	50	DHEA	
CC(C)=C1Oc2c(ccc3c2[C@H](CC(C)C)CC(=O)O3)C1=O	217911842	KZXYJISOKXUNBY-LLVKDONJSA-N	300.354	3.994	30	50	DHEA	biogenic
CC1(C)OB(C2CCN(C(=O)C3CCCCC3)CC2)OC1(C)C	228893756	DIDOZJOXEBTHAZ-UHFFFAOYSA-N	321.270	3.652	30	50	DHEA	
CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1	307219032	NPVOYNRFIUWOJO-UHFFFAOYSA-N	323.242	3.575	30	50	DHEA	
CC1=C(/C(O)=N/C[C@H]2CCO[C@@H]2c2ccccc2)CCCO1	328609969	GFYBVPVAJNJZQC-NVXWUHKLSA-N	301.386	3.805	30	50	DHEA	
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/N=C(/O)C1=CCCCCC1	328615038	XOQDXUORGVWBGP-RDJZCZTQSA-N	317.433	3.714	30	50	DHEA	
CC(O)=Nc1ccn([C@H]2CCN([C@H](C)c3cccc(C)c3)C2)n1	328621212	HORRBARQLKWSJD-PBHICJAKSA-N	312.417	3.807	30	50	DHEA	
Fc1ccc(-c2nnc(S)n2/N=C/C=C/c2ccco2)cc1	9319949	NPQHXCUQPXVXTP-COQIBVDLSA-N	314.345	3.513	30	50	DHEA	
CC1(C)CN(C(=O)CCc2ccc(C#N)cc2)c2ccccc2O1	124557928	JCZWSASZCSTDIY-UHFFFAOYSA-N	320.392	3.695	30	50	DHEA	
N#Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2)cc1	334161108	TYJZKOQHIIXCSC-MRXNPFEDSA-N	314.797	3.990	30	50	DHEA	
N#Cc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1	2582316	CWBQHPSPUCWUCD-UHFFFAOYSA-N	320.421	3.569	30	50	DHEA	
CCCCCCCCNC(=O)C(=O)Nc1ccc(C)cc1C	2868918	VMRHCTNNWGSARW-UHFFFAOYSA-N	304.434	3.719	30	50	DHEA	
C=CCc1c(C)[nH]c2c(-c3cccc(Cl)c3)c(C)nn2c1=O	9935350	JMBBXNSRLYMDGA-UHFFFAOYSA-N	313.788	3.688	30	50	DHEA	
CC1=C(C)[C@@H](C)C/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	22015689	JXSREPDYSHGTGR-MOUPLNQNSA-N	304.306	3.647	30	50	DHEA	
C=CCOc1ccccc1NC(=O)N(C)C1CCSCC1	299774032	FBQKKOUDDKEVKC-UHFFFAOYSA-N	306.431	3.611	30	50	DHEA	
C[C@H](NCc1cccc(-c2cnn(C)c2)c1)c1ccc(C#N)cc1	371258687	PIKYSUXDCLJRSX-HNNXBMFYSA-N	316.408	3.810	30	50	DHEA	
Cc1cc(/C=C2/C[C@H](C(=O)O)c3ccccc3C2=O)ccc1C#N	328593105	ACKBVGPVHYHKSQ-YHTSIIMFSA-N	317.344	3.705	30	50	DHEA	
C=C(C)COc1ccc(C(=O)N[C@@H](C)CCc2ccco2)cc1	55308567	ANAIRBKJXMQSLT-HNNXBMFYSA-N	313.397	3.986	30	50	DHEA	
N#Cc1cccc(Oc2cc(F)c(CN3CCCC3)c(F)c2)n1	67867790	LHAKZGGDCPIPGG-UHFFFAOYSA-N	315.323	3.620	30	50	DHEA	
CC1CCC(NC=C2C(=O)CC(c3ccccc3)CC2=O)CC1	100522947	YEMGSYKWGBLGCD-UHFFFAOYSA-N	311.425	3.754	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C	257345607	CKAXZOYFIHQCBN-XHIOTYGBSA-N	316.485	3.754	30	50	DHEA	
Cc1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C#N	273092486	BHVJQSXOWGBXQN-ZDUSSCGKSA-N	320.396	3.783	30	50	DHEA	
Cc1ccsc1-c1cc(-c2c(C)nn(C)c2C)nc(N)c1C#N	71775505	LHKCIMYQIABPMM-UHFFFAOYSA-N	323.425	3.590	30	50	DHEA	
C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC	238809420	SIGSPDASOTUPFS-XUDSTZEESA-N	310.437	3.659	30	50	DHEA	world
O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)Oc2ccc(Cl)cc21	299738134	ASHODAUAUGCHMZ-NSIKDUERSA-N	317.684	3.570	30	50	DHEA	
C=CCN(Cc1ccc(F)cc1)Cc1ccc(OC)c(O)c1	55107704	YXSNPSANZQSURU-UHFFFAOYSA-N	301.361	3.728	30	50	DHEA	
CN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1	189471108	MZQQYLUUKMLTSB-UHFFFAOYSA-N	320.352	3.728	30	50	DHEA	
COc1ccccc1NC1=C(Cl)C(=O)c2ccccc2C1=O	161646	PTNMCDAUXNBBDQ-UHFFFAOYSA-N	313.740	3.637	30	50	DHEA	
O[C@@](C#CCN1CCCCCC1)(c1ccccc1)C1CCCC1	4819806	UGXGHBWOZDIBTC-NRFANRHFSA-N	311.469	3.944	30	50	DHEA	
C/C(=N\N1CCN(c2ccc(Cl)cc2)CC1)c1cccs1	5032790	UFOZNJRHVQOLAD-QGOAFFKASA-N	319.861	3.948	30	50	DHEA	
C=C(C)COc1cccc(CN(Cc2cnn(C)c2)C2CC2)c1	55198497	LRFMZSKEOWNJPX-UHFFFAOYSA-N	311.429	3.540	30	50	DHEA	
C=C(C)[C@H](Cc1ccccc1)S(=O)(=O)CC[Si](C)(C)C	195792848	SDLAZRDTXDASPU-INIZCTEOSA-N	310.535	3.927	30	50	DHEA	
CC(C)(C)OC(=O)N[C@H]1C=C(B2OC(C)(C)C(C)(C)O2)CCC1	201187558	KVZYKJVSNKXWQC-CYBMUJFWSA-N	323.242	3.621	30	50	DHEA	in-vitro
C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	257345605	CKAXZOYFIHQCBN-LTMFWQMUSA-N	316.485	3.754	30	50	DHEA	in-man
C[C@H]1c2nccn2CCN1c1cc(C#N)c2cc(Cl)ccc2n1	1875341431	SNHHKCZYWQFGDI-NSHDSACASA-N	323.787	3.538	30	50	DHEA	
Cc1ccccc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O	5711531	HUEWPNMMDOPSAR-DEDYPNTBSA-N	305.381	3.543	30	50	DHEA	
CC(C)(C)[C@](C)(C#N)NC(=O)c1sccc1Br	253425312	CTEJEYLMGOAFHU-LBPRGKRZSA-N	315.236	3.569	30	50	DHEA	
OC(COc1ccccc1)=Nc1nnc(-c2ccsc2)s1	328586704	BECQIUJJCQKYBB-UHFFFAOYSA-N	317.395	3.934	30	50	DHEA	
C=CC[C@@H]1c2cccc(C(=O)O)c2C(=O)N1c1cccc(C)c1	211900	NOKCGLVJNGPDKO-MRXNPFEDSA-N	307.349	3.971	30	50	DHEA	
O=C(/C=C/Nc1ccccn1)c1ccc(Br)cc1	308111	FOBCUYSSNXYLCD-CSKARUKUSA-N	303.159	3.653	30	50	DHEA	
CC(C)c1ccccc1NC(=O)CSc1ncccc1C#N	7051530	WFUUGNNXAZRABS-UHFFFAOYSA-N	311.410	3.807	30	50	DHEA	
C[C@@H](CC#N)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1	158219383	CSVTWXGBGVKZAE-ZDUSSCGKSA-N	320.352	3.774	30	50	DHEA	
N/C(Cc1cccc2ccccc12)=N\OC(=O)c1ccc(F)cc1	4170065	OCEQNEAPUCAHGF-UHFFFAOYSA-N	322.339	3.651	30	50	DHEA	
O/C(=N/Cc1ccc[nH]1)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12	328607341	VSJLEAXPXWNPGY-YOEHRIQHSA-N	316.788	3.865	30	50	DHEA	
N#Cc1csc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)c1	328629732	IPKSPVVNPBULGV-INIZCTEOSA-N	312.442	3.559	30	50	DHEA	
N#Cc1cccc(CN2CCC(Oc3ccccc3F)CC2)c1	602737287	UEJRCYSXZDOUEI-UHFFFAOYSA-N	310.372	3.741	30	50	DHEA	
CC(C)(C(O)=Nc1ccc2c(c1)OC(F)(F)O2)c1ccccn1	328589988	SGKURIQBARUEQJ-UHFFFAOYSA-N	320.295	3.969	30	50	DHEA	
C=CCNC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-]	3128449	FVUYOCVXLWCRIL-UHFFFAOYSA-N	322.317	3.504	30	50	DHEA	
Cc1cc(N/N=C/c2ccccc2F)nc(-c2ccccc2O)n1	4957727	AFBBLCSSZIVHAJ-RGVLZGJSSA-N	322.343	3.743	30	50	DHEA	
N#Cc1c(NC(=O)Cc2ccccc2F)sc2c1CCCC2	12931826	AJABOJRCBMXFJY-UHFFFAOYSA-N	314.385	3.819	30	50	DHEA	
N#Cc1cc(N2CCC(F)(F)CC2)ccc1Br	169725807	USSZAIKPDMFYSK-UHFFFAOYSA-N	301.134	3.556	30	50	DHEA	
CC(C)(C)C1CCC(C#N)(NC(=O)c2cccc(CC#N)c2)CC1	187288824	CNFJJTLZUHONEO-UHFFFAOYSA-N	323.440	3.981	30	50	DHEA	
Cc1nsc(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1C#N	286597243	XKGHFCSTNKXBQH-NSHDSACASA-N	315.364	3.882	30	50	DHEA	
C=CCN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O	1015299	DEGQYIMURBHLSE-FLIBITNWSA-N	313.300	3.928	30	50	DHEA	
Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2O)cc1	5968895	JKFQQKYUOPATSW-LICLKQGHSA-N	310.382	3.504	30	50	DHEA	
CC1(C)OB(c2ccc(C(=N)Cc3ccccc3)cc2)OC1(C)C	169978731	HDHZWCUHWWFUMB-UHFFFAOYSA-N	321.229	3.596	30	50	DHEA	
N#Cc1cc(C(=O)N2CCCCc3ccc(Cl)cc32)ccn1	225473439	XQWCDBPMBYDIOK-UHFFFAOYSA-N	311.772	3.590	30	50	DHEA	
C#CCCC1(CCC(=O)N[C@@H](C)c2cc3ccccc3cn2)N=N1	2325895302	VVGINGDGHWIYIU-AWEZNQCLSA-N	320.396	3.768	30	50	DHEA	
CC(=O)c1cc(C#N)c(SCc2ccc(F)cc2)nc1C	50053	NAIWIZBWOMAAKC-UHFFFAOYSA-N	300.358	3.896	30	50	DHEA	
CCCCCCCCNCC(=O)n1c(=O)sc2ccccc21	3106458	FJZPMNOYJGTXGO-UHFFFAOYSA-N	320.458	3.653	30	50	DHEA	
C[C@H]1CCCCCN1/C(O)=N/Cc1cc(COC(C)(C)C)on1	328595297	QMLIQRVIDRPHOZ-ZDUSSCGKSA-N	323.437	3.668	30	50	DHEA	
O/C(CCc1ccc(O)cc1)=N/Cc1nccn1-c1ccccc1	330032541	PBURYXKRNKQTOC-UHFFFAOYSA-N	321.380	3.667	30	50	DHEA	
C#C[C@](C)(CC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	104009	JKVAQZFSYDSZTR-ZUZCIYMTSA-N	314.212	3.679	30	50	DHEA	
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1	2838069	GKSFELYHALAALN-UHFFFAOYSA-N	314.772	3.508	30	50	DHEA	
C=CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1	12092941	YTPLZQALSQUYTR-QGZVFWFLSA-N	323.440	3.887	30	50	DHEA	
C=CCN(Cc1cccnc1)C(=O)c1ccc(OC)c(Cl)c1	67690697	AXMCBDDXESPYJV-UHFFFAOYSA-N	316.788	3.572	30	50	DHEA	
CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccco2)CC(=O)O3)C1=O	217820483	MOVPMHFUOLOLFJ-LLVKDONJSA-N	310.305	3.590	30	50	DHEA	biogenic
CC(C)(C)c1cnc(N2CCC[C@@H]2[C@@H]2CCCOC2)c(C#N)c1	1875287155	WRJJUEUXSXGTJR-RHSMWYFYSA-N	313.445	3.646	30	50	DHEA	
COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2OC(F)F)cc1	100710360	AABMGOSNGGPOHV-GIJQJNRQSA-N	322.267	3.955	30	50	DHEA	
CC(C)[C@@H](C#CC(O)(c1ccccc1)c1ccccc1)N(C)C	1234565	MOYQRHPXYJSAIP-HXUWFJFHSA-N	307.437	3.512	30	50	DHEA	
Cn1nc(C(F)(F)F)c(C#N)c1Oc1ccc(Cl)cc1	1391295	BGMMCQHTRLMVGT-UHFFFAOYSA-N	301.655	3.756	30	50	DHEA	
Cc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)o1	5969435	VLXWCASCVKMQMO-LZYBPNLTSA-N	318.789	3.671	30	50	DHEA	
O=C(Nc1ccccc1)/C(O)=C/C(=O)c1ccc(Cl)cc1	100331080	WZNQRXWJYFRHRS-GDNBJRDFSA-N	301.729	3.603	30	50	DHEA	
COc1ccc(/C=C2\Oc3c(Cl)cccc3C2=O)cc1O	171510958	VHFVHGZRSDLXHD-ZSOIEALJSA-N	302.713	3.670	30	50	DHEA	
Cc1cnc([C@H](C)/N=C(/O)[C@H]2CCN(C3CCCCC3)C2)o1	329315969	BDQWREMSVFGNSH-KBPBESRZSA-N	305.422	3.655	30	50	DHEA	
C#Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)cn2)cc1	1875329409	UQZDGCDJEBIPEV-KRWDZBQOSA-N	310.784	3.694	30	50	DHEA	
C=CCOc1ccc(/C=C2\SC(=S)N(CC=C)C2=O)cc1	2674191	FXBWFVQKKZDATG-KAMYIIQDSA-N	317.435	3.639	30	50	DHEA	
C=CCN(Cc1cccc(OC)c1)C(=O)c1cccc(Cl)n1	55368901	VKDPDUXYAGXHNX-UHFFFAOYSA-N	316.788	3.572	30	50	DHEA	
CN(CCCCCCCCC(=O)/C=N/O)Cc1ccccc1	2214949	XXMUAMDIEFEEKF-XDJHFCHBSA-N	304.434	3.878	30	50	DHEA	
Cc1ccccc1-c1cc[n+](CC(=O)c2ccc(Cl)cc2)cn1	5712070	JQDRSUBDJQHZKR-UHFFFAOYSA-N	323.803	3.881	30	50	DHEA	
COc1ccccc1/C=N/n1c(-c2cccc(C)c2)n[nH]c1=S	5981746	HRYWNMPNHAMJLH-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
C#C[C@@](C)(C=C)OC(=O)CCc1nc(C)c(-c2ccccc2)o1	252495014	OKWZJQDDJMNHII-IBGZPJMESA-N	309.365	3.704	30	50	DHEA	
COc1cc(/C=C2/CCc3ccccc3C2=O)cc(OC)c1OC	12367883	LTUKXOIWJPFEFJ-GDNBJRDFSA-N	324.376	3.925	30	50	DHEA	
C=CC[C@H](CC)NC(=O)Nc1ccc(Oc2ncccn2)cc1	253431798	UPPYVGGYWGEUHH-ZDUSSCGKSA-N	312.373	3.745	30	50	DHEA	
O=Cc1ccc(C#Cc2cnc3ccc(C(F)(F)F)cn23)cc1	675038120	UQZOPDIJADUJFX-UHFFFAOYSA-N	314.266	3.565	30	50	DHEA	
O=C(/C=C/Nc1ccc(O)cc1)c1ccc(Br)cc1	276640	GFMNUCSKDLSTGK-MDZDMXLPSA-N	318.170	3.963	30	50	DHEA	
C=CCc1cc(CNCc2cccnc2)cc(OC)c1OCC	13731173	NQEIDRCTOFYISS-UHFFFAOYSA-N	312.413	3.507	30	50	DHEA	
Cc1ccc(/C=C2/CNC/C(=C/c3ccc(C)cc3)C2=O)cc1	16953567	PKCYYPHSCUSQDK-YZLQMOBTSA-N	303.405	3.943	30	50	DHEA	in-vitro
C#Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(Cl)n2)cc1	1875387062	MAUMLDROSCBTET-INIZCTEOSA-N	310.784	3.694	30	50	DHEA	
CCc1ccc(CCNc2c(C#N)cnc3cnccc23)cc1	2325855949	WGCDELTWDONTGF-UHFFFAOYSA-N	302.381	3.718	30	50	DHEA	
Cc1cc(Nc2nccs2)n2c(nc3ccccc32)c1C#N	408524	VRIDSTKJNRLURU-UHFFFAOYSA-N	305.366	3.868	30	50	DHEA	
COc1cc(/C=N/Nc2nc3ccccc3s2)cc(OC)c1	4380400	SEPHIBVBIKRVKH-LICLKQGHSA-N	313.382	3.760	30	50	DHEA	
C=CCOc1ccccc1/C=C1\N=C(c2ccc(C)cc2)OC1=O	4474758	TUUAXMYBGAGLRI-LGMDPLHJSA-N	319.360	3.904	30	50	DHEA	
Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1	13378716	POEHXTIXLPAOGL-UNEWFSDZSA-N	308.443	3.915	30	50	DHEA	
O=C(C(=C1C=CS(=O)(=O)C=C1)c1ccccc1)c1ccccc1	45069079	WRGWAMJGRVQIQN-UHFFFAOYSA-N	322.385	3.779	30	50	DHEA	
C=CCN(Cc1ccc(F)cc1)Cc1cnc(SCC)nc1	55153435	ZNNQHKJDRUGEAY-UHFFFAOYSA-N	317.433	3.916	30	50	DHEA	
N#Cc1cccc(Br)c1N1CCC(F)(F)CC1	169725848	BVJUUAVHJIEOPW-UHFFFAOYSA-N	301.134	3.556	30	50	DHEA	
CC1(C)OB(c2cc(Cl)ccc2OC(F)(F)F)OC1(C)C	169951752	YCQFKWSTTHUHSP-UHFFFAOYSA-N	322.519	3.538	30	50	DHEA	
CC(C)[C@H]1OCC[C@@H]1C/N=C(/O)c1cc(-c2cccs2)on1	330279637	RJOKDJPDYDKKPI-IAQYHMDHSA-N	320.414	3.769	30	50	DHEA	
C[C@@H]1CCCN(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1	1875264932	PXUXRAQECKUANE-BPQIPLTHSA-N	311.429	3.610	30	50	DHEA	
C[C@H]1CCc2c(sc(NC(=O)Cc3ccccc3)c2C#N)C1	345199	CCEBKOPUMWGFTH-LBPRGKRZSA-N	310.422	3.926	30	50	DHEA	
C=C(C)COc1cccc(C(=O)Nc2ccccc2NC(C)=O)c1	6747628	RZMZPIVXMPCHFY-UHFFFAOYSA-N	324.380	3.852	30	50	DHEA	
OC1=N[C@H](/C(O)=N/Cc2nc3ccc(Cl)cc3[nH]2)CCCC1	328598504	MIRZZJNEWOQARI-NSHDSACASA-N	320.780	3.572	30	50	DHEA	
N#Cc1ccc(N[C@H]2Cc3cccc(O)c3C2)cc1C(F)(F)F	428669670	QJTPGJUGHDBBLJ-ZDUSSCGKSA-N	318.298	3.862	30	50	DHEA	
COc1ccc(CC/N=C2\CCc3ccccc3N2)cc1OC	210094	WJZMPHLTKQRJMK-UHFFFAOYSA-N	310.397	3.703	30	50	DHEA	biogenic
C/C(=N\N/C(=N\c1ccccc1)c1ccccn1)c1ccccn1	12342968	LXEAHHMLFOXHMY-HZHRSRAPSA-N	315.380	3.569	30	50	DHEA	
C#C[C@](C)(C=C)OC(=O)CCc1nc(C)c(-c2ccccc2)o1	252495015	OKWZJQDDJMNHII-LJQANCHMSA-N	309.365	3.704	30	50	DHEA	
COc1ccsc1/C(O)=N/C[C@H]1CCCc2sc(C)nc21	328618531	DUZYKTLXNPVZDP-SNVBAGLBSA-N	322.455	3.946	30	50	DHEA	
OC(CN1[C@H]2CC[C@H]1c1ccccc12)=Nc1ccc2c(c1)OCO2	329840887	NHLQWEDCWGOHAI-HOTGVXAUSA-N	322.364	3.895	30	50	DHEA	
Cc1nccc(N=C(O)N2CCC[C@@H](c3ccccc3)CC2)n1	330127763	NCOFRLCXOPWYTG-MRXNPFEDSA-N	310.401	3.600	30	50	DHEA	
Cc1nn(C(C)C)cc1CNc1cc(C#N)c2ccccc2n1	952876839	GEZNESSLAZKTDU-UHFFFAOYSA-N	305.385	3.804	30	50	DHEA	
CC/C(=N\O)[C@@H](C)C(=O)CCC(=O)Nc1ccc(Cl)cc1	17195707	USUGUQLVJTZTIF-BPLQLKKBSA-N	310.781	3.504	30	50	DHEA	
CC(=O)Nc1ccc(O)c(C(=O)/C=C/c2ccc(C)s2)c1	1776004967	UZUROKXKISPASN-SOFGYWHQSA-N	301.367	3.617	30	50	DHEA	
C#Cc1ccc([C@@H]2CCCN2C(=O)c2sccc2C#N)cc1	1875329160	IBEGGJAFENHEBU-INIZCTEOSA-N	306.390	3.578	30	50	DHEA	
Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)cc2)c1	1273751	XHBYEDSGLRZRBV-LICLKQGHSA-N	310.382	3.504	30	50	DHEA	
C=CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1	4843219	IJAZLOSVLWRDGC-UHFFFAOYSA-N	313.353	3.521	30	50	DHEA	
N#Cc1ccc(-c2ccncc2)nc1SCc1ccccn1	12360613	DNPRMIVUOMPABR-UHFFFAOYSA-N	304.378	3.703	30	50	DHEA	
CCOc1ccc(-c2c[nH]c(-c3cc(C#CCO)cs3)n2)cc1	65405276	CLACHACPUXMTGX-UHFFFAOYSA-N	324.405	3.548	30	50	DHEA	
C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1cccc2ccc(OC)cc12	239433655	YGTRLBKHIZAVEL-VBGDYPAJSA-N	323.436	3.778	30	50	DHEA	
C[C@@H]1CCCN(c2oc(COc3ccccc3F)nc2C#N)C1	1775977840	XQNUTLCMQWKYDZ-GFCCVEGCSA-N	315.348	3.501	30	50	DHEA	
Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C#N)c3n2)s1	2735440	WTXSTMQPSQHANI-UHFFFAOYSA-N	308.288	3.657	30	50	DHEA	
CC1(C)C[C@@H](/N=C(/O)c2snc(Cl)c2Cl)CCO1	328592859	NXCMWTNMZBLUHJ-LURJTMIESA-N	309.218	3.712	30	50	DHEA	
C[C@H](CC#N)/N=C(/O)C[C@@H]1CCCC[C@@H]1/N=C(/O)OC(C)(C)C	328600521	YEAGODXYBKQIHY-RDBSUJKOSA-N	323.437	3.923	30	50	DHEA	
Cc1ccc(C(=O)O/N=C(\N)Cc2cccc3ccccc23)cc1	18173035	IPZPMRPGGYOMDF-UHFFFAOYSA-N	318.376	3.820	30	50	DHEA	
O=[N+]([O-])c1cccc(/N=C/c2cc(Br)ccc2O)c1	100032388	NBHKREDBWXIBAX-OVCLIPMQSA-N	321.130	3.814	30	50	DHEA	
CC(=O)c1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1	169747263	HWNFSCIHGJQRHT-UHFFFAOYSA-N	322.213	3.855	30	50	DHEA	
CCCN(CCC)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1	169810208	SEDQCITWNDZPJV-UHFFFAOYSA-N	317.282	3.608	30	50	DHEA	in-vitro
CC#CC(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)c(Cl)c1	1875376915	MVXAEIQRWQWYDA-VIFPVBQESA-N	303.711	3.902	30	50	DHEA	
COc1ccccc1/C=N/n1c(-c2ccc(C)cc2)n[nH]c1=S	4899331	GZISAVIYTQVALT-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
C=CCNCC[C@@H]1CCC(=O)N1[C@@H](C)c1ccc(Cl)cc1	14955002	XKHYVTFVRABDSZ-BBRMVZONSA-N	306.837	3.558	30	50	DHEA	
C#Cc1ccc(CN2CCC(Nc3cccc(OC)c3)CC2)cc1	225638744	BDPWWWGGTCGFTM-UHFFFAOYSA-N	320.436	3.753	30	50	DHEA	
Cc1ccc(NCc2ccc(N3CCC(C)CC3)nc2)nc1C#N	302670909	RMAJPWSOLPBDQY-UHFFFAOYSA-N	321.428	3.505	30	50	DHEA	
N#C[C@H]1CCCN(C(=O)c2cccc(-c3cc(F)ccc3O)c2)C1	426479891	ZQSDHJSSGVESAQ-CYBMUJFWSA-N	324.355	3.574	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2cccc(N(C)C(C)C)c2)N=N1	952880478	GDYLAFSLULFURI-UHFFFAOYSA-N	312.417	3.825	30	50	DHEA	
O=C1c2ccccc2C(=O)N1N=Cc1ccc(Cl)c(Cl)c1	1719669	OBTKBCXDCLPEKY-UHFFFAOYSA-N	319.147	3.624	30	50	DHEA	
CC1(C)OB(c2cccc(SC(F)(F)F)c2)OC1(C)C	169808089	KUSAKFDXTLNMCN-UHFFFAOYSA-N	304.142	3.598	30	50	DHEA	
N#CCC(=O)Nc1ccc(SCc2ccccc2Cl)cn1	358409334	HYVNUSHHNUWDBT-UHFFFAOYSA-N	317.801	3.879	30	50	DHEA	
Cc1ccc(S(=O)(=O)OC[C@H]2CCCc3ccccc32)cc1	4543123	ADMICVKNOCRGAY-MRXNPFEDSA-N	316.422	3.820	30	50	DHEA	
C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccco1	19773080	OHOZWMLATLVAIH-RCCKNPSSSA-N	319.408	3.585	30	50	DHEA	
CCc1c(C)sc(NC(=O)COc2ccc(F)cc2)c1C#N	2754564	XUNYADLVSVFFFM-UHFFFAOYSA-N	318.373	3.647	30	50	DHEA	
CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccncc2C#N)cc1	253392474	BEBDXCHNIDNAIO-CYBMUJFWSA-N	321.380	3.534	30	50	DHEA	
O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1O	79939	FSTCNVDYNLAILD-CYBMUJFWSA-N	309.152	3.949	30	50	DHEA	
N#Cc1ccc(C(=O)OC2c3ccccc3-c3ccccc32)[nH]1	152906438	MCSSDQICAOJMSY-UHFFFAOYSA-N	300.317	3.813	30	50	DHEA	
CCOC(=O)c1ccc(/N=C/c2coc3ccccc3c2=O)cc1	197509665	JDELYWSAAWJWMA-RGVLZGJSSA-N	321.332	3.720	30	50	DHEA	
C=CCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O	145076	ZQHVNEPCHZPKEH-UHFFFAOYSA-N	302.786	3.964	30	50	DHEA	
O[C@@H](C#CC(O)(c1ccccc1)c1ccccc1)c1cccs1	4956789	YTAFGVXSKYABBM-SFHVURJKSA-N	320.413	3.721	30	50	DHEA	
Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1/C=C/c1ccccc1	253432064	IRGNYWMMPVERSH-SCOAYWHSSA-N	306.365	3.778	30	50	DHEA	
CC1(C)C[C@H](/N=C(/O)Cc2cnccc2C(F)(F)F)CCO1	328592847	KXKYMZZLIPRZMA-LLVKDONJSA-N	316.323	3.557	30	50	DHEA	
CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C[C@H](C)C#N)C1CC1	338390313	WAEHBGGADQNKJM-CYBMUJFWSA-N	317.389	3.506	30	50	DHEA	
COc1cccc2c1N(C(=O)CSCC#N)C(C)(C)C[C@H]2C	1775997307	AAOFGJMULXUIEJ-GFCCVEGCSA-N	318.442	3.571	30	50	DHEA	
CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](C)c1ccc(C#N)cc1	170617676	LKBZWVFWTCEXKO-ZDUSSCGKSA-N	321.355	3.792	30	50	DHEA	
C#Cc1cccc(N(Cc2ccccc2)Cc2nnc(C)o2)c1	408512906	LNGKXSUCRFBHQS-UHFFFAOYSA-N	303.365	3.566	30	50	DHEA	
C=CCN(Cc1cccc(OC)c1)C(=O)[C@H](CC)n1cccc1	55343190	BJZAFFNTGVMJHA-SFHVURJKSA-N	312.413	3.663	30	50	DHEA	
C=CCN(C)C(=O)Nc1cccc(CN2CCCC[C@H]2C)c1	96152393	VLYWTLVKFKOFKP-OAHLLOKOSA-N	301.434	3.711	30	50	DHEA	
CC1(C)CN(C(=O)c2sccc2C#N)CC[C@@H]1C(F)(F)F	170611560	JVJKSKFAQRGEPJ-JTQLQIEISA-N	316.348	3.670	30	50	DHEA	
CON=C1C[C@H](C)Cc2nnc(-c3ccc(Cl)cc3)cc21	245239726	AIVWWERDIUPHNT-SNVBAGLBSA-N	301.777	3.730	30	50	DHEA	
N#Cc1c(N2CCC(c3ccsc3)CC2)nc2ccccn12	274963239	GYBRXESIFULOCB-UHFFFAOYSA-N	308.410	3.651	30	50	DHEA	
CC[C@H]1c2ccccc2CCN1c1ccc(C#N)cc1[N+](=O)[O-]	301259267	GIOKNSQFTKJHLI-INIZCTEOSA-N	307.353	3.980	30	50	DHEA	
CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCO3)c2C#N)C1	4750139	CNUJDWALAIXOJQ-RISCZKNCSA-N	318.442	3.642	30	50	DHEA	
CC1(C)OB(c2ccccc2OC2CCCCC2)OC1(C)C	307307410	VHPQJSMDNHUWJI-UHFFFAOYSA-N	302.223	3.697	30	50	DHEA	
COc1ccc([C@@H]2C[C@H]2c2nc(C#N)c(N3CCCCC3)o2)cc1	1857799377	ZGBHSMJGMSFVLT-JKSUJKDBSA-N	323.396	3.816	30	50	DHEA	
O[C@](CC#CCN1CCCCC1)(c1ccccc1)C1CCCC1	2267277	JCTUOTWJAALIQX-OAQYLSRUSA-N	311.469	3.944	30	50	DHEA	
C=CCN1C(=O)S/C(=C\c2cc(Cl)ccc2OCC)C1=O	13881354	VEYYWGAPBSJETC-LCYFTJDESA-N	323.801	3.961	30	50	DHEA	
C=CCN(Cc1ccccc1OC)C(=O)Cc1cccc(F)c1	55037096	YUVGISOXZPIUPF-UHFFFAOYSA-N	313.372	3.592	30	50	DHEA	
COc1ccc(-c2cc(C(C)(C)C)nc(N)c2C#N)c(OC)c1	71750343	ZMWVOMWENPPSFK-UHFFFAOYSA-N	311.385	3.517	30	50	DHEA	
CCn1cc(CN(C)Cc2cc3cc(F)ccc3[nH]2)cc1C#N	670448898	NWSMQSSUBYPKET-UHFFFAOYSA-N	310.376	3.632	30	50	DHEA	
C=C(C)[C@H](Sc1nnc(-c2ccc(C)cc2C)o1)C(=O)OC	1615571320	IUZHGCIMHXAZRO-ZDUSSCGKSA-N	318.398	3.563	30	50	DHEA	
O=C1/C(=C\c2ccco2)C[C@H]2C[C@H]1C/C(=C/c1ccco1)C2=O	100699539	YNULTRHQOASKMT-KPQJIWRESA-N	308.333	3.908	30	50	DHEA	
C[C@H](CC(F)(F)F)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	457598029	BFUXMDKHXNCKNS-YUELXQCFSA-N	324.346	3.873	30	50	DHEA	
C#CCCC1(CCC(=O)N2CC(c3ccccc3)(C(C)C)C2)N=N1	952879636	GBMIWOITXRXURK-UHFFFAOYSA-N	323.440	3.778	30	50	DHEA	
CN(C)Cc1ccc(Cn2ccnc2-c2ccc(C#N)cc2)cc1	1857668589	MKYBMQHRMWFAHD-UHFFFAOYSA-N	316.408	3.532	30	50	DHEA	
C#CCOC(=O)CCCC(=O)N(c1ccccc1)c1ccccc1	2913573	SAGMHHHGGPUDJJ-UHFFFAOYSA-N	321.376	3.698	30	50	DHEA	
CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2)c1	5906933	JERIXKVCVRQAQD-LDADJPATSA-N	324.409	3.889	30	50	DHEA	
CC(C)CSCCn1nc(C(C)(C)C)c(CCC#N)c1O	133800943	JSSUXLWVPNKLAM-UHFFFAOYSA-N	309.479	3.732	30	50	DHEA	
C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2O)C/C1=N\N	215824357	WYIOTJMJDQSAEQ-KFFGHMORSA-N	318.505	3.951	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2sccc2C#N)cc1	1875329161	IBEGGJAFENHEBU-MRXNPFEDSA-N	306.390	3.578	30	50	DHEA	
C#CCSc1nccn1-c1ncc(C(F)(F)F)cc1Cl	4023644	OXOCPKZMXKIFAJ-UHFFFAOYSA-N	317.723	3.665	30	50	DHEA	
CC(/C=N/n1c(S)nnc1-c1cccnc1)=C\c1ccccc1	4475197	IPIWDNFQVKTCOF-MINACNRQSA-N	321.409	3.566	30	50	DHEA	
O=C1C=CN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)C1	38440474	HTXHSSNSXZBPKU-SFHVURJKSA-N	307.349	3.853	30	50	DHEA	
C=C(C)COc1cccc(CNC[C@H](C)Oc2cccnc2)c1	55060742	GKJQLISMDVKKFN-INIZCTEOSA-N	312.413	3.594	30	50	DHEA	
C=CCN(Cc1ccccn1)Cc1c[nH]nc1-c1ccc(F)cc1	55100348	HSVLVQHYAXFOIY-UHFFFAOYSA-N	322.387	3.799	30	50	DHEA	
C[C@@H]1CC[C@H](CCC(=O)N[C@H](C#N)c2c(F)cccc2Cl)O1	252512966	WYAMGMMXIPFYCJ-JTNHKYCSSA-N	324.783	3.508	30	50	DHEA	
CC(C)(NC(=O)C#Cc1ccccc1Cl)c1ccccc1F	2325827564	KEZCLGJDOHAOTE-UHFFFAOYSA-N	315.775	3.882	30	50	DHEA	
CC(=O)Nc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	224112	JTNXQLYQVRHPPO-RQZCQDPDSA-N	317.732	3.957	30	50	DHEA	
N#Cc1c(SCc2ccccc2)nc(N)nc1-c1cccs1	1398210	HLAXSXGKXUMTKU-UHFFFAOYSA-N	324.434	3.951	30	50	DHEA	
C=CCNC(=S)N(Cc1ccc(C)cc1)Cc1ccco1	2885004	RDWLMXUYXDOXQM-UHFFFAOYSA-N	300.427	3.651	30	50	DHEA	
Cc1c(Cl)cccc1NC(=O)CSc1ncccc1C#N	7051404	LKUHWFZAFPEEFE-UHFFFAOYSA-N	317.801	3.646	30	50	DHEA	
C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl	1382	AVOLMBLBETYQHX-UHFFFAOYSA-N	303.141	3.606	30	50	DHEA	biogenic,fda
C[C@H](SCc1ccccc1)C(=O)N1CCCC(C)(C)[C@H]1C#N	225494874	IRMTUHJZOSINFR-GOEBONIOSA-N	316.470	3.849	30	50	DHEA	
N#Cc1ccc(NC2CC2)c(N=C(O)COc2ccccc2O)c1	328592195	LSRSPCKFCQYDRC-UHFFFAOYSA-N	323.352	3.505	30	50	DHEA	
C#Cc1ccc([C@@H]2CCCN2C(=O)c2ccnc(Cl)c2)cc1	1875386896	CXDICIWKJSFDLB-INIZCTEOSA-N	310.784	3.694	30	50	DHEA	
C=CCc1c(C)nc(SC)nc1Nc1ccc(OC)cc1	226337	PMMHYOXGIHXVMQ-UHFFFAOYSA-N	301.415	3.988	30	50	DHEA	
CCOc1ccccc1/C=N/NC(=S)Nc1ccc(F)cc1	5598915	VPISKILHFKBARD-WOJGMQOQSA-N	317.389	3.545	30	50	DHEA	
COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1OC	9015605	NESFNHXESBZFLZ-LICLKQGHSA-N	313.382	3.760	30	50	DHEA	
Oc1cccc2ccc(/C=N/Nc3cccc4cccnc34)nc12	100072164	MVRYUWHNRSHURE-CIAFOILYSA-N	314.348	3.935	30	50	DHEA	
CCCCCCOc1cccc(B2OC(C)(C)C(C)(C)O2)c1	207492664	DOWXUZRGEFPXCO-UHFFFAOYSA-N	304.239	3.945	30	50	DHEA	in-vitro
COc1cc(O)c(C(=O)/C=C/c2ccccc2Cl)c(OC)c1	4100773	YZXFAXZRQRCABV-BQYQJAHWSA-N	318.756	3.959	30	50	DHEA	
Cc1nccn1-c1cc(C(C)C)c(C#N)c2nc3ccccc3n12	551363	KIYOFUZYUXGHQT-UHFFFAOYSA-N	315.380	3.977	30	50	DHEA	
COc1ccc(/C=N/n2c(C3CCCCC3)n[nH]c2=S)cc1	1253916	OKWSNOMJJHBXTR-GZTJUZNOSA-N	316.430	3.879	30	50	DHEA	
N#Cc1cc(-c2ccccc2)cn(Cc2ccc(F)cc2)c1=O	1391850	PUTOIJUVFQPGLO-UHFFFAOYSA-N	304.324	3.574	30	50	DHEA	
Cc1cc(C)c(C#N)c(-c2ccc([C@@H](C)N3CCOCC3)cc2)n1	67909746	FPGFLYJWWHBLQM-MRXNPFEDSA-N	321.424	3.630	30	50	DHEA	
OC(=Nc1ccsc1Cl)c1coc(C2CCOCC2)n1	328750461	RFJXGQLUUGTWOW-UHFFFAOYSA-N	312.778	3.920	30	50	DHEA	
C=C(C)[C@@H]1OCC[C@H]1C/N=C(/O)NC(C)(C)c1cccc(C)c1	331258247	ZDKXAYRLPLHYEH-RDJZCZTQSA-N	316.445	3.715	30	50	DHEA	
COc1ccc(NC(=O)O/N=C\c2ccccc2Cl)cc1	4456556	IWYUZWCVCSLQSM-YVLHZVERSA-N	304.733	3.931	30	50	DHEA	
CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cccc(C)c1	170618264	ZQNLRDKIGVWHST-VQIMIIECSA-N	324.376	3.907	30	50	DHEA	
CC(C)=C1Oc2c(ccc3c2[C@H](c2ccccc2)CC(=O)O3)C1=O	217783734	FNFQGZZYHKMDSZ-AWEZNQCLSA-N	320.344	3.997	30	50	DHEA	biogenic
CCC[C@@H]1C=CCN1C(=O)c1ccc(-c2cccc(C#N)n2)cc1	426477860	GUIVINBDVQAQFS-GOSISDBHSA-N	317.392	3.801	30	50	DHEA	
C#CCOc1ccc(/C=C2\SC(=O)N(CCCC)C2=O)cc1	2815048	FGMVBWBIBZVDCV-QINSGFPZSA-N	315.394	3.535	30	50	DHEA	
C=CCOc1ccccc1NC(=O)c1ccc(Br)o1	9815225	OXINOOKLXOQBGO-UHFFFAOYSA-N	322.158	3.859	30	50	DHEA	
CC(C)(C)OC(=O)N[C@@H]1CCC=C(B2OC(C)(C)C(C)(C)O2)C1	169747326	MFPBSOYHSNYOKC-CYBMUJFWSA-N	323.242	3.621	30	50	DHEA	
C[C@]12CC=C3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N	238731729	LPEAVAOTAWKUPC-FUMNGEBKSA-N	309.409	3.803	30	50	DHEA	in-vitro
C#Cc1ccc([C@@H]2CCCN2C(=O)c2cscc2C#N)cc1	1875329226	LENRCGRHUYCAQT-KRWDZBQOSA-N	306.390	3.578	30	50	DHEA	
C#CCOc1ccc(CNc2ccccc2Cl)cc1OC	2845554	BTTWFHVMZJFFQQ-UHFFFAOYSA-N	301.773	3.973	30	50	DHEA	
C=CCNCCCOc1ccc(Br)cc1Cl	3461383	KVUGMVDHKMXCSX-UHFFFAOYSA-N	304.615	3.647	30	50	DHEA	
CCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1C#N	4451090	LBOVBOOXCIMCNH-GFCCVEGCSA-N	312.394	3.664	30	50	DHEA	
N#C[C@H](C(=O)c1ccco1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1	247717058	ODZLVQHAXYFAHO-MJBXVCDLSA-N	313.740	3.628	30	50	DHEA	
CC1(C)OB(c2ccc(OCC3CCCC3)cc2)OC1(C)C	390745982	ACWLARGUBZDYDS-UHFFFAOYSA-N	302.223	3.555	30	50	DHEA	
C=C(C)CN1CCC(N[C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1	417307784	HHSKAFGDKUNPCS-BHYGNILZSA-N	304.503	3.870	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2cscc2C#N)cc1	1875329227	LENRCGRHUYCAQT-QGZVFWFLSA-N	306.390	3.578	30	50	DHEA	
C=CCNCCCOc1c(Cl)cc(C)cc1Br	3003816	QKDHWLBAHHNCGC-UHFFFAOYSA-N	318.642	3.955	30	50	DHEA	
CC1(C)OB(c2ccc(Cl)c(Cl)c2Cl)OC1(C)C	238856528	WDZTUCRLWSSSRZ-UHFFFAOYSA-N	307.413	3.946	30	50	DHEA	in-vitro
C=CC[C@H]1CC=C[C@H](C)N1C(=O)Nc1ccc(OC)cc1OC	1616157554	CIKCYYUJYZAACN-KBPBESRZSA-N	316.401	3.831	30	50	DHEA	
C#CCC[C@H](OC(=O)c1cccc2ncccc12)c1ccccn1	2325854452	FDBATKYXRRHMQZ-IBGZPJMESA-N	316.360	3.941	30	50	DHEA	
C=CCOc1cccc([C@H]2CC(=O)Nc3c2cnn3C(C)C)c1	72119134	VYMJRYHUBOLDDE-OAHLLOKOSA-N	311.385	3.503	30	50	DHEA	
CCn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/[C@H](C)c1cccs1	328623095	IVTIMTMLWPFVPL-LALPHHSUSA-N	319.430	3.760	30	50	DHEA	
CC(O)=Nc1ccn([C@@H]2CCN(C[C@H]3CCCC[C@@H]3C)C2)n1	328628996	OIMFXVRWMRDMOP-NUEKZKHPSA-N	304.438	3.564	30	50	DHEA	
C[C@]1(C#N)CCCN(Cc2ccc(CN3CCCCC3)s2)C1	670455477	BRVVOTRLIRNLFV-GOSISDBHSA-N	317.502	3.860	30	50	DHEA	
Clc1ccc(N2CCN(/N=C/c3cccs3)CC2)cc1	228745	RXEMUGATXIBAJW-SFQUDFHCSA-N	305.834	3.558	30	50	DHEA	
COc1cc(C#N)ccc1OCc1ccccc1Br	4828618	IQDGLWBNKNFZGK-UHFFFAOYSA-N	318.170	3.908	30	50	DHEA	
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1ccn(CC)n1	55108928	WPRMUQOUORXCCE-MJGOQNOKSA-N	321.424	3.991	30	50	DHEA	
Cc1ccc(C)c(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)c1	67713224	PTEALPHHERGOCO-UHFFFAOYSA-N	319.364	3.572	30	50	DHEA	
N#C[C@H](C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccccn1	221990619	ZSQJFDAHFBWFHM-ISLQHJTJSA-N	314.816	3.836	30	50	DHEA	
CC[C@H](C)[C@H](NC(=O)c1c(F)cc(C#N)cc1F)C(F)(F)F	277512653	FTKYKJHKUQNHGS-MADCSZMMSA-N	320.261	3.543	30	50	DHEA	
Clc1cc(C#Cc2nccnc2NCc2ccccc2)ccn1	1307262977	VIJBMRPYKOEIQA-UHFFFAOYSA-N	320.783	3.537	30	50	DHEA	
C#Cc1ccc(C)c(C(=O)N[C@H](C)c2ccc(OCC)cc2)c1	1857778329	ZFMNXLBTIIWMPR-OAHLLOKOSA-N	307.393	3.866	30	50	DHEA	
C=C(C)Cn1nc(CC(C)C)nc1-c1ccc(O)nc1C(C)C	2356168334	ZFOBEKPZHSGBPG-UHFFFAOYSA-N	314.433	3.944	30	50	DHEA	
CN(C)CCn1cnc(-c2ccccc2)c1-c1ccccc1C#N	65422495	QJFJSFKFTTUREB-UHFFFAOYSA-N	316.408	3.650	30	50	DHEA	
Cc1cccc([C@H]2CCCN2C(=O)/C=C/c2cccc(C#N)c2)n1	119052104	AMEHEJAAWNAYPV-GNISGLHKSA-N	317.392	3.639	30	50	DHEA	
C=CCOc1ccccc1/C=C1\N=C(c2ccc(F)cc2)OC1=O	2844621	NFUMVSQSWLSSPU-VBKFSLOCSA-N	323.323	3.735	30	50	DHEA	
COc1ccc(N/C(S)=N\[C@H](C)c2ccncc2)cc1OC	13496748	QUELKNWCLXOHQR-LLVKDONJSA-N	317.414	3.558	30	50	DHEA	
O=C(O)[C@H](Cc1ccc(O)cc1)/N=C/c1ccc2ccccc2c1	19893870	JCMOAMHQUCBWHZ-IOVUBPJKSA-N	319.360	3.660	30	50	DHEA	
CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccc(Cl)cc1	100492398	FFLRFROZOLZHMS-GFCCVEGCSA-N	303.789	3.587	30	50	DHEA	
Cc1ccc(-c2nnc(S)n2N=Cc2cccc(F)c2)cc1	244778596	PTJWEWBHXVTXKB-UHFFFAOYSA-N	312.373	3.564	30	50	DHEA	
O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1O	79936	FSTCNVDYNLAILD-ZDUSSCGKSA-N	309.152	3.949	30	50	DHEA	
O=C([C@H]1CO1)N1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1	1875372233	ANMULFSRAHCVPZ-ZIAGYGMSSA-N	313.319	3.548	30	50	DHEA	
CN(CCCCc1ccccc1)c1c(C#N)cnc2cnccc12	2325776813	BSABFPMYBVOHSN-UHFFFAOYSA-N	316.408	3.961	30	50	DHEA	
Cc1cc(OCC(=O)Nc2ccccc2C#N)cc(C)c1Cl	318817	WKGKVILRBHGZID-UHFFFAOYSA-N	314.772	3.846	30	50	DHEA	
N#Cc1ccccc1COc1ccc(Br)cc1C=O	453437	VCXSLSDPKXOFGK-UHFFFAOYSA-N	316.154	3.712	30	50	DHEA	
O=C(OCc1ccccc1)/C(=C/c1c[nH]c2ccccc12)[N+](=O)[O-]	2023258	NNDHSWLARLEUHU-YVLHZVERSA-N	322.320	3.529	30	50	DHEA	
Cc1ccc(-c2cc[n+](CC(=O)c3ccccc3)cn2)c(C)c1	2529508	DHRSPZRXFDATHE-UHFFFAOYSA-N	303.385	3.536	30	50	DHEA	
COc1cccc(C(=O)/C=C(\C)Nc2ccc3c(c2)OCO3)c1	4998636	SSFXKYJKFZUUJF-XYOKQWHBSA-N	311.337	3.623	30	50	DHEA	
C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1	10461548	WTKSUIKJIINHGW-UHFFFAOYSA-N	320.392	3.753	30	50	DHEA	
CC1=C(/C(C)=N\Nc2ccccc2)[C@H](c2ccccc2)NC(=O)N1	12416498	STOVKOUBLDXNCF-GFHXCNCHSA-N	320.396	3.803	30	50	DHEA	
C=CC[C@H]1C=CC[C@H](CC=C)N1C(=O)c1cnn2c1CCCC2	217005464	DZARMNGDTSDOPP-HOTGVXAUSA-N	311.429	3.511	30	50	DHEA	
Cn1c([C@@H]2CCCN2Cc2cccc(C#N)c2)nc2c1CCCC2	275463018	HGXAIJALUUBIMK-IBGZPJMESA-N	320.440	3.508	30	50	DHEA	
CCn1nccc1[C@@H]1OCC[C@H]1C(O)=Nc1cscc1C	328629615	PARRSRQYLYBITC-BXUZGUMPSA-N	305.403	3.639	30	50	DHEA	
N#Cc1cccc(NC(=O)c2cccc(Br)c2)c1	450085	FTICUWHNVDWEST-UHFFFAOYSA-N	301.143	3.573	30	50	DHEA	
COc1cc(/C=C/C(=O)c2cc(Cl)ccc2O)ccc1O	4252506	JYGUAQRKYKPUQE-GORDUTHDSA-N	304.729	3.656	30	50	DHEA	
Cc1cccc(N/C=C/C(=O)c2ccc(Br)cc2)n1	6862504	ZYPXFVKFBHULDH-MDZDMXLPSA-N	317.186	3.961	30	50	DHEA	
CSc1nc(N)c(C#N)c(-c2ccc(C(C)C)cc2)c1C#N	19782310	OFCAHYYVEUEEJP-UHFFFAOYSA-N	308.410	3.919	30	50	DHEA	
Cc1cccc(CSc2nc3c(cc2C#N)CN(C)CC3)c1	19816228	UYUXSYPCRYPMPS-UHFFFAOYSA-N	309.438	3.542	30	50	DHEA	
C=C(C)COc1ccccc1CN[C@@H](CC)c1nc(C)no1	55392850	RHGDJPJXHDJECC-HNNXBMFYSA-N	301.390	3.574	30	50	DHEA	
Cc1cc(C#N)ccc1C(=O)NC1(c2nccs2)CCCC1	123574058	MPHLEHYTCBVVOR-UHFFFAOYSA-N	311.410	3.523	30	50	DHEA	
CCOc1cccc(/C=C2\N=C(SCC)SC2=O)c1OC	311094	LZUYQTKTUQCSOB-LUAWRHEFSA-N	323.439	3.817	30	50	DHEA	
C=C[C@H]1CNCC[C@H]1CCC(=O)c1ccnc2ccc(OC)cc12	1583683	DKRSEIPLAZTSFD-LSDHHAIUSA-N	324.424	3.618	30	50	DHEA	biogenic,in-man
C/C(=N\Nc1nc(C)cc(-c2ccccc2)n1)c1ccc(O)cc1	4947232	DRVUOGLUTXJUTI-HYARGMPZSA-N	318.380	3.994	30	50	DHEA	
Cc1noc(C)c1-c1c(C)c(-c2ccccc2)nc(N)c1C#N	71523972	HDJKLRUOSNKWQK-UHFFFAOYSA-N	304.353	3.783	30	50	DHEA	
CCc1c(C(C)C)nc(N)c(C#N)c1-c1ccc(O)c(OC)c1	71747012	YARYCQUFEUGJNO-UHFFFAOYSA-N	311.385	3.602	30	50	DHEA	
CCc1ccc([C@@H](CNc2oc(C)nc2C#N)N2CCCC2)cc1	238923567	OVHQUYUFTOZPMI-GOSISDBHSA-N	324.428	3.666	30	50	DHEA	
C[C@H](NCC1CCN(c2ccccc2C#N)CC1)c1ccncc1	369896247	PRUVAOKWSSWCHB-INIZCTEOSA-N	320.440	3.520	30	50	DHEA	
CCc1c(C)sc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C#N	311480	BOFTVSKRRMIAFN-UHFFFAOYSA-N	315.354	3.651	30	50	DHEA	
N/C(=N\OC(=O)Nc1ccc2ccccc2c1)c1ccccc1	4452589	VEXRRYIZONXZDH-UHFFFAOYSA-N	305.337	3.709	30	50	DHEA	
N#Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1	359538	UBSKXCOGDZHJGW-UHFFFAOYSA-N	308.234	3.968	30	50	DHEA	
COc1ccc2nc(N=C(O)C34CCCN3CCC4)sc2c1	328586484	DGPQVRSRXLNSFD-UHFFFAOYSA-N	317.414	3.521	30	50	DHEA	
Cc1c(C#N)c(N2CCC[C@@H](c3cc[nH]n3)C2)nc2ccccc12	590686185	ONZKVMVBYPOPOZ-CQSZACIVSA-N	317.396	3.522	30	50	DHEA	
COc1ccccc1/C=C/C=N/N1CCN(c2ccccc2)CC1	1743260	TYKRZRJFFMEOJU-WXYKTORPSA-N	321.424	3.516	30	50	DHEA	
CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C)cc1	4138395	OLRDRQUZVUGTAM-KRWDZBQOSA-N	315.413	3.860	30	50	DHEA	
C=C(C)COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1	12379177	VBSFVIYGFXZKNU-UHFFFAOYSA-N	311.337	3.623	30	50	DHEA	
C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C#N)ccc2O1	826798847	CLTIMZHVNSDPAB-CYBMUJFWSA-N	301.349	3.734	30	50	DHEA	
CN(C)C1(C#CC(O)(c2ccccc2)c2ccccc2)CCCC1	4833543	XBBFLUFWTLRMAU-UHFFFAOYSA-N	319.448	3.800	30	50	DHEA	
N#C[C@@H]1c2ccccc2C(=N)N1c1ccc(Br)cc1	22589190	LZMJVOCSSPFZKN-CQSZACIVSA-N	312.170	3.859	30	50	DHEA	
N#Cc1ccc(CNC(=O)Nc2ccc3nscc3c2)s1	2325865398	ATYATCRIKRBSIX-UHFFFAOYSA-N	314.395	3.551	30	50	DHEA	
COc1ccc2c(ccc[n+]2CC(=O)c2ccc(Cl)cc2)c1	1595197	PZVZUFDNNPQQQI-UHFFFAOYSA-N	312.776	3.672	30	50	DHEA	
Cc1ccccc1-c1nnc(S)n1/N=C/C=C/c1ccco1	2336005	IZTSMEYCXKPULQ-CUQLSPFUSA-N	310.382	3.683	30	50	DHEA	
CC[C@@H](C)N(Cc1ccsc1)Cc1cc(C#CCO)cs1	55099794	SHRMJAICUSDHDN-CQSZACIVSA-N	319.495	3.954	30	50	DHEA	
CN(Cc1ccccc1C#N)Cc1cn[nH]c1-c1ccc(F)cc1	55155048	CCNCRPLVNQNDSG-UHFFFAOYSA-N	320.371	3.719	30	50	DHEA	
COc1ccc(-c2nccn2-c2cccc(C#N)c2)c(OC)c1C	82121663	ZTCYMJPVXRDEHR-UHFFFAOYSA-N	319.364	3.737	30	50	DHEA	
COC(=O)c1ncoc1CCC(O)=Nc1cccc(C(F)F)c1	328600313	WSUQJYXRADTKPV-UHFFFAOYSA-N	324.283	3.620	30	50	DHEA	
Cc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1	228750	WIAJWBKHNRSQBV-XSFVSMFZSA-N	313.832	3.805	30	50	DHEA	
CCC1([C@@](O)(C#CCN2CCCC2)c2ccccc2)CCCC1	2991872	FANYSDJWMLAFLC-OAQYLSRUSA-N	311.469	3.944	30	50	DHEA	
N#Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	4794828	MREDPEJQAFFWEI-UHFFFAOYSA-N	316.704	3.764	30	50	DHEA	
CCC(=O)Nc1cccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c1	4953036	VQTTWMXPUQOLSP-JLHYYAGUSA-N	322.408	3.997	30	50	DHEA	
N#Cc1cccnc1SCC(=O)Nc1cccc2c1CCCC2	9295506	HUDDGWRKBRMEQY-UHFFFAOYSA-N	323.421	3.563	30	50	DHEA	
O=C(C#CC1(C(F)(F)F)CC1)Nc1ccccc1NC1CCC1	2325805473	LHONBNMCVDHNAU-UHFFFAOYSA-N	322.330	3.935	30	50	DHEA	
COc1cccc(N[C@@H](CNc2ccc(C#N)cn2)C(C)(C)C)c1	170598751	RUBHRNRVOUIPNS-KRWDZBQOSA-N	324.428	3.901	30	50	DHEA	
CCc1nc(C)c(/C(O)=N/C[C@@H](C)c2c(C)noc2C)s1	330407480	OPIFMMAYNWETOV-MRVPVSSYSA-N	307.419	3.727	30	50	DHEA	
N#CCN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CCCC1	170634250	ZDUVLXKADVCGHR-UHFFFAOYSA-N	300.446	3.888	30	50	DHEA	
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C#N	471424	ILMHLFHTIBJPSP-NSHDSACASA-N	300.745	3.618	30	50	DHEA	
Cc1cc(N(C)/N=C/c2ccccc2)nc(-c2ccccc2O)n1	15961617	RQNIKNTZZHMMRQ-DEDYPNTBSA-N	318.380	3.628	30	50	DHEA	
C=CCc1cc(Cl)ccc1OCCN1C[C@@H](C)O[C@H](C)C1	20167774	KWWLFRDAAIHMKQ-ZIAGYGMSSA-N	309.837	3.557	30	50	DHEA	
Cc1ccc(-c2nnc(S)n2N=Cc2ccc(C)s2)cc1	244748540	OJKHSBGVOPFOMW-UHFFFAOYSA-N	314.439	3.794	30	50	DHEA	
CC[C@@H](C)[C@H](NC(=O)c1c(F)cc(C#N)cc1F)C(F)(F)F	277512650	FTKYKJHKUQNHGS-KRTXAFLBSA-N	320.261	3.543	30	50	DHEA	
C=CCN(CC=C)C(=S)Nc1sc(C)c(C)c1C(=O)OC	611036	CKQNMBOPZXHJSC-UHFFFAOYSA-N	324.471	3.522	30	50	DHEA	
CCCc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)no1	2498064	REPWYUHOWYSEQV-UHFFFAOYSA-N	315.398	3.691	30	50	DHEA	
CCCCCCCCCCCCCCC(=O)OC[C@H](O)CO	32840890	QSKPZDMBULYMDQ-QGZVFWFLSA-N	316.482	3.974	30	50	DHEA	
COc1ccccc1O[C@@H](C)N/N=C(\C)c1ccc2c(c1)CCC2	43761339	FGOTZTAZEPNURX-HBBMIWKISA-N	324.424	3.923	30	50	DHEA	
C[C@H]1[C@H](C)CCC[C@H]1NC1=C(Cl)C(=O)c2ccccc2C1=O	239433188	XIHNLWGDKYFEFG-UHIISALHSA-N	317.816	3.930	30	50	DHEA	
O=C(Nc1ccc(Cl)cc1)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]3O[C@@H]3[C@@H]12	254352357	SHXFBSIHHBENLA-VBSDVHFUSA-N	319.788	3.700	30	50	DHEA	
Cc1nc(Oc2ccc(-n3cccn3)cc2)c(Cl)cc1C#N	360066632	RGUPYXZTTGHIPN-UHFFFAOYSA-N	310.744	3.893	30	50	DHEA	
CN1C=CC(=C(O)N=N/C=C2\C(=O)C=Cc3ccccc32)C=C1	409415864	SJLUSMYPTLDODI-PQUVRPEGSA-N	305.337	3.818	30	50	DHEA	
N#Cc1nn(-c2ccc(Cl)cc2)c(=O)cc1Nc1ccccc1	1387895	YOPUZEQXSOOLQV-UHFFFAOYSA-N	322.755	3.501	30	50	DHEA	
C=C(C)COc1ccccc1C(=O)N(C)Cc1ccc(CC)cn1	55343386	ZFDNTZGLZCZAET-UHFFFAOYSA-N	324.424	3.871	30	50	DHEA	
C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(C#N)c1	229636161	AIMQCQUICRZQIK-SPYBWZPUSA-N	320.392	3.549	30	50	DHEA	
Cc1ccc(CN2CCN(N=Cc3cccs3)CC2)c(C)c1	238901759	MLYWIJXPASTKBO-UHFFFAOYSA-N	313.470	3.517	30	50	DHEA	
N#Cc1cc(CNCC[C@H](c2ccc(F)cc2)c2ccco2)c[nH]1	952966264	INIJTUDCGZMJHZ-GOSISDBHSA-N	323.371	3.930	30	50	DHEA	
C=CCc1c(C)nc(SC)nc1Nc1ccc([N+](=O)[O-])cc1	3878906	ZNQBFJBGLMZFOU-UHFFFAOYSA-N	316.386	3.887	30	50	DHEA	
Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cccc(F)c1	5982053	KXYMLWSLVMPMKV-VCHYOVAHSA-N	312.373	3.937	30	50	DHEA	
Cc1[nH]nc2c1[C@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2	18175756	QKLKZONYGYBOKZ-INIZCTEOSA-N	323.396	3.624	30	50	DHEA	
CC1(C)C[C@@H](c2cc(-c3cccc(O)c3)nc(N)c2C#N)CCO1	67803855	DNXOFMJBCSGOKK-ZDUSSCGKSA-N	323.396	3.581	30	50	DHEA	
CC(=O)Nc1ccc(-c2c(C)c(C(C)C)nc(N)c2C#N)cc1	71751931	BGXJRQMYFZHLEA-UHFFFAOYSA-N	308.385	3.593	30	50	DHEA	
CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1	100617243	IEEKMXZKTQFBDJ-LICLKQGHSA-N	311.312	3.721	30	50	DHEA	
N#C[C@H]1CCCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1	218732467	IUECBZACDTXGSK-CQSZACIVSA-N	308.356	3.868	30	50	DHEA	
C#CCCC1(CCC(=O)N2CCC[C@@H](Cc3ccccc3)C2)N=N1	952880799	IJTJUSZRPIJMMM-SFHVURJKSA-N	323.440	3.823	30	50	DHEA	
O=C(O/N=C(/c1ccccc1)c1ccccn1)c1ccc(F)cc1	301909	YHPGTVOAFWGBAD-PYCFMQQDSA-N	320.323	3.830	30	50	DHEA	
C=CCN(Cc1ccc(NC(C)=O)cc1)Cc1ccccc1OC	55310164	OVGZTEQPUIHYDM-UHFFFAOYSA-N	324.424	3.842	30	50	DHEA	
CCC(CC)n1ncc2c1NC(=O)C[C@H]2c1ccccc1C#N	65536306	NPXXYTGVDDRCOA-HNNXBMFYSA-N	308.385	3.590	30	50	DHEA	
CC1(C)OB(c2ccc(/C=N/C3CCCCC3)cc2)OC1(C)C	169745819	BAVKTLABAAKQAH-KGENOOAVSA-N	313.250	3.737	30	50	DHEA	in-vitro
Cc1snc(SCC(=O)c2ccc(Cl)cc2)c1C#N	1395808	LSDZMSKELSKFDK-UHFFFAOYSA-N	308.815	3.952	30	50	DHEA	
C=CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1	4842453	SXOHHRCISIKCLR-UHFFFAOYSA-N	313.353	3.521	30	50	DHEA	
C=CCC1(C(=O)N2CCc3ccc(C(C)=O)cc3CC2)CCC1	253432387	YJDGKWRFLVYCCI-UHFFFAOYSA-N	311.425	3.563	30	50	DHEA	
N#C[C@@]1(C(O)=NNc2ccccc2F)CCc2ccccc2C1	328592957	HHOMBHGBHAFNHF-GOSISDBHSA-N	309.344	3.808	30	50	DHEA	
Cc1ccccc1C(=O)O/N=C(\c1ccccc1)c1ccccn1	79833	IQFGCAZATSKXLR-ZBJSNUHESA-N	316.360	3.999	30	50	DHEA	
Cc1cc2c(NC(=O)CC(C)(C)CC(F)F)n[nH]c2cc1C#N	880541066	AXTGOZKVCWHGLM-UHFFFAOYSA-N	320.343	3.753	30	50	DHEA	
Cc1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)o1	1297607	URNGZYHBAJMOIQ-LZYBPNLTSA-N	318.789	3.671	30	50	DHEA	
C=CCOc1ccccc1/C=C1\N=C(c2ccccc2F)OC1=O	2844337	VUZFNUOQRKBSDH-VBKFSLOCSA-N	323.323	3.735	30	50	DHEA	
Clc1ccc(N/N=C(/c2ccccc2)c2ccccn2)nc1	6568031	YHHFKWKMXWRVTJ-XLNRJJMWSA-N	308.772	3.995	30	50	DHEA	in-vitro
C=CCOc1ccccc1NC(=O)N(CC)C[C@H]1CCCCO1	96141350	MJBWEPCQFLBITH-OAHLLOKOSA-N	318.417	3.674	30	50	DHEA	
CCOC(=O)[C@H](C#N)[C@]1(c2ccc(C)cc2)CCOC(C)(C)C1	209729	CYXLBAWOZNHCJF-QFBILLFUSA-N	315.413	3.525	30	50	DHEA	
CC(=O)/C(C1=C(C(C)(C)C)C(=O)C(=O)C(C(C)(C)C)=C1)=C(/C)O	2927802	SFOAURPSUYIOEU-GXDHUFHOSA-N	318.413	3.874	30	50	DHEA	
O=[N+]([O-])c1ccc(N/N=C/c2ccc(Cl)cc2)c([N+](=O)[O-])c1	3958544	HNRHTYXBELCYRG-OVCLIPMQSA-N	320.692	3.602	30	50	DHEA	
Cc1nn(C)c(C)c1/C=C/C(=O)c1ccc(Br)cc1	6526086	IDPFOIUKROSWPA-CMDGGOBGSA-N	319.202	3.696	30	50	DHEA	
CCOc1ccc(/C=N\N2CCN(c3ccc(C)cc3)CC2)cc1	15685318	VEUMUGUMYPCBHD-PGMHBOJBSA-N	323.440	3.550	30	50	DHEA	
Cc1cc(C)c2cc(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)[nH]c2c1	170629580	GQKBMXOQOGBCSI-BUXKBTBVSA-N	309.413	3.987	30	50	DHEA	
CC[C@H](C#N)C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1	593417228	PQDJALCHVJPRRF-SNVBAGLBSA-N	303.362	3.746	30	50	DHEA	
N#CC[C@H](Nc1cnc2cc(F)c(F)cc2n1)c1ccccc1	2325732645	GHPXBLLTTYTSQJ-AWEZNQCLSA-N	310.307	3.975	30	50	DHEA	
N#Cc1ccc(C(=O)Nc2ccc(Br)cc2)c(F)c1	4842422	AJRAEIFOUUXIGE-UHFFFAOYSA-N	319.133	3.712	30	50	DHEA	
COc1ccc(/C(C)=N\NC(=S)Nc2cccc(C)c2)cc1	16134189	IJMRAUKPQHPKRB-UYRXBGFRSA-N	313.426	3.714	30	50	DHEA	
C=CCN(Cc1cccc(OC)c1)CC1CCN(C(C)C)CC1	63868163	KHVXMIIWGQTVJT-UHFFFAOYSA-N	316.489	3.804	30	50	DHEA	
CC1(C)OB(c2ccc(OCc3ccccc3)cc2)OC1(C)C	169747104	KMKOKPUXZWBMEI-UHFFFAOYSA-N	310.202	3.565	30	50	DHEA	in-vitro
C=CCCc1ccccc1NC(=O)c1cccc(-c2ncn[nH]2)c1	225737288	LQROPDBCDYXFIX-UHFFFAOYSA-N	318.380	3.843	30	50	DHEA	
C/C(C=Nn1c(S)nnc1-c1ccccc1)=C\c1ccco1	245253742	MIRPWNWHWCCNDA-LLFMZYGCSA-N	310.382	3.764	30	50	DHEA	
CCc1nc2cc(C/N=C(/O)c3cccnc3)ccc2n1C1CC1	330033088	WHNUIIQRRFREQD-UHFFFAOYSA-N	320.396	3.833	30	50	DHEA	
CC(C)(C)c1ccc(C#N)c(N2CC[C@H](c3ccncc3)C2)n1	599103552	UTAVWDMYDDTRFS-INIZCTEOSA-N	306.413	3.640	30	50	DHEA	
CCCCOCCO[C@@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1	1775937697	OWHUOYTUFRZISS-MRXNPFEDSA-N	324.270	3.930	30	50	DHEA	
Cc1ccc(OCc2nnc(/N=C(\O)OCC(C)C)s2)cc1	447887	XRJDTHWPLJVPLQ-UHFFFAOYSA-N	321.402	3.644	30	50	DHEA	
CN(C)c1ccc(/[N+]([O-])=C/c2c(Cl)cccc2[N+](=O)[O-])cc1	3199871	RPDUHTAGRHNCFQ-ZDLGFXPLSA-N	319.748	3.575	30	50	DHEA	
Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC(C)(C#N)CC2)c1	272499811	GOENJGJKRWXSCP-MRXNPFEDSA-N	313.445	3.570	30	50	DHEA	
COc1ccc(C)nc1N=C(O)[C@@H]1C[C@@]12CCOc1ccccc12	329917513	QWUTZEBQAIILTB-IFXJQAMLSA-N	324.380	3.727	30	50	DHEA	
C[C@H](/N=C(/O)Nc1ncc(C(C)(C)C)s1)c1ccccn1	331258020	YSRSWNTYMMSGCJ-JTQLQIEISA-N	304.419	3.923	30	50	DHEA	
CC(C)(C#N)C(=O)Nc1ccc(-c2ccc(Cl)s2)cn1	408515177	NJIQLCHAXILCAE-UHFFFAOYSA-N	305.790	3.952	30	50	DHEA	
Cc1ccc(F)c2oc(C(=O)NCC(C)(C)CCC#N)cc12	935994168	ZYSJZQRUCDFMQB-UHFFFAOYSA-N	302.349	3.940	30	50	DHEA	
Cc1ncc(CCNc2cc(C(F)(F)F)c(F)cc2C#N)o1	1775998252	CSOKCXKDQNRGBV-UHFFFAOYSA-N	313.254	3.667	30	50	DHEA	
CCN(CC)c1ccc(/C=C2\N=C(SC)SC2=O)cc1	199419	ALVTUVSBPVWXTG-RAXLEYEMSA-N	306.456	3.866	30	50	DHEA	
C/C(=N/NS(=O)(=O)c1ccccc1)c1cccc2ccccc12	43763508	QXEIQSIQHWJZTK-RGEXLXHISA-N	324.405	3.542	30	50	DHEA	
C=CC[C@H]1C=C(C)C[C@H](CC=C)N1Cc1cnc2nccn2c1	55153303	TVDOEEXDQWXNFT-ROUUACIJSA-N	308.429	3.771	30	50	DHEA	
CC1(C)OB(c2ccc(C(C)(C)C(F)(F)F)cc2)OC1(C)C	215760017	QUUSYEYDUDIVNW-UHFFFAOYSA-N	314.156	3.826	30	50	DHEA	
COc1cc(B2OC(C)(C)C(C)(C)O2)c(C2CC2)cc1Cl	309963819	JXHPYLQWETTYMC-UHFFFAOYSA-N	308.614	3.525	30	50	DHEA	
C=CCOc1c(Cl)cc(CNCc2cccnc2)cc1OC	4413450	HVWWHGYGFNVKOJ-UHFFFAOYSA-N	318.804	3.598	30	50	DHEA	
O=C(/C=C/c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1	5066605	KFHJWWYSIYEQTP-FNORWQNLSA-N	322.114	3.846	30	50	DHEA	
N#C[C@@H](C(=O)CC1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1	130199784	AFPUPFYFYRQEPV-LBPRGKRZSA-N	322.767	3.707	30	50	DHEA	
C[C@@H](CC#N)NC(=O)Nc1cccc(C2SCCS2)c1	154291189	BEMUFTDPORBAPZ-JTQLQIEISA-N	307.444	3.589	30	50	DHEA	
Sc1nnc(-c2ccc(Cl)cc2)n1N=Cc1cccs1	252429376	IQDPLGHSFABHKA-UHFFFAOYSA-N	320.830	3.831	30	50	DHEA	
Cc1c(C#N)c(N(C)CCC[C@@H]2CCCO2)nc2ccccc12	1857674078	PVUFTWNMFWUNQN-OAHLLOKOSA-N	309.413	3.810	30	50	DHEA	
C=CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1	4714246	QJJBJRJGLRWWQV-WEVVVXLNSA-N	322.360	3.919	30	50	DHEA	
CCOc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1OCC	5013317	GESRKDLAZKRXQD-UHFFFAOYSA-N	310.353	3.608	30	50	DHEA	
COc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1C	6556595	PSGYFMMJGOKSOX-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
C=CC[C@]1(NCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1	261507062	DWUHKFZKCBRMNP-IBGZPJMESA-N	316.445	3.732	30	50	DHEA	
Cc1cccc2nc(C3CCN(c4cccnc4C#N)CC3)oc12	377975580	GUDIPVDFURPRTE-UHFFFAOYSA-N	318.380	3.787	30	50	DHEA	
C[C@@H]1CCc2c(sc(NC(=O)Cc3ccccc3)c2C#N)C1	345201	CCEBKOPUMWGFTH-GFCCVEGCSA-N	310.422	3.926	30	50	DHEA	
CC(C)=NOC(=O)Nc1ccc(C)c(NC(=O)ON=C(C)C)c1	4774993	GZPUHWVYVLYYDW-UHFFFAOYSA-N	320.349	3.884	30	50	DHEA	
N#Cc1cc(NC2CCC(C(=O)O)CC2)ccc1C(F)(F)F	261817827	AMFVAIHWLVARDK-UHFFFAOYSA-N	312.291	3.632	30	50	DHEA	
N#Cc1ccc(N2CCC(c3c[nH]c4ncccc34)CC2)cc1	301108492	VJKKZZSMSLIPBS-UHFFFAOYSA-N	302.381	3.819	30	50	DHEA	
COc1ccccc1-c1c(C#N)c(N)c(C#N)c2c1CCCC2	29117	HOSIEJWOHDDCRL-UHFFFAOYSA-N	303.365	3.567	30	50	DHEA	
C=Cc1cccc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)c1	71774496	NBDXZAMBDRTGMH-UHFFFAOYSA-N	315.380	3.554	30	50	DHEA	
C=C(C)[C@@H](Cc1ccccc1)S(=O)(=O)CC[Si](C)(C)C	195792846	SDLAZRDTXDASPU-MRXNPFEDSA-N	310.535	3.927	30	50	DHEA	
N#C[C@@H]1CCCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1	218732424	IUECBZACDTXGSK-AWEZNQCLSA-N	308.356	3.868	30	50	DHEA	
C=CCN1CCC[C@H]1C(=O)Nc1cccc(Cl)c1OCCC	952870289	VHLSSZDEUYFLNC-HNNXBMFYSA-N	322.836	3.718	30	50	DHEA	
CN(C)Cc1cccc(Cn2ccnc2-c2cccc(C#N)c2)c1	1857676320	QQNWNBQAAZCIDZ-UHFFFAOYSA-N	316.408	3.532	30	50	DHEA	
C=CCn1c(S)nnc1[C@H](C)Oc1ccc(Cl)cc1C	2518742	GBNCQLMXTDNDJD-JTQLQIEISA-N	309.822	3.855	30	50	DHEA	
N#Cc1ccc(F)c(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)c1	275907629	JAHZPIMHHPXMAG-SFHVURJKSA-N	324.403	3.636	30	50	DHEA	
Cc1ccc(NC2(C#N)CCN(Cc3ccccc3)CC2)cc1	394020	OIDUIUJRLUPBPH-UHFFFAOYSA-N	305.425	3.965	30	50	DHEA	
O=C1C[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1	612675	LPIZHMMILXMXQI-SNVBAGLBSA-N	310.180	3.604	30	50	DHEA	
CC(C)(C)c1ccc(C=NN2CCN(c3ccccn3)CC2)cc1	238950331	XRVQYYVEBAKVRG-UHFFFAOYSA-N	322.456	3.535	30	50	DHEA	
CCc1cc(C#N)c(NC(=O)c2cc(C(C)(C)C)on2)s1	266089336	WDVLUTJJRLRWFN-UHFFFAOYSA-N	303.387	3.720	30	50	DHEA	
Cc1nc(/C(O)=N/[C@H]2CCCC[C@@H]2O)c(-c2ccccc2)s1	330246134	LBRPDVYHKOJSMI-KBPBESRZSA-N	316.426	3.727	30	50	DHEA	
COc1ccc(NC2=CC(=O)C[C@H](c3ccco3)C2)cc1OC	302831	VWWWVTPFWZOBRA-GFCCVEGCSA-N	313.353	3.739	30	50	DHEA	
CC(C)N1C(=O)/C(=N/Nc2ccccc2Cl)c2ccccc21	16045044	JDBIVDWZPNCCGA-CAPFRKAQSA-N	313.788	3.911	30	50	DHEA	
C=CC[C@@H]1C=CC[C@@H](CC=C)N1C(=O)c1ccc2[nH]cnc2c1	67878863	JYJUGPBKXZOMHT-HZPDHXFCSA-N	307.397	3.854	30	50	DHEA	
Cc1cc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)cc(C)c1O	67934234	SVALJXOIRSIFLB-UHFFFAOYSA-N	318.380	3.530	30	50	DHEA	
Cc1c(Br)cccc1C(=O)Nc1ccccc1C#N	88440993	ODUDWIVBBMPTAK-UHFFFAOYSA-N	315.170	3.882	30	50	DHEA	in-vitro
C/C(=N/N=C(\C)C1C(=O)c2ccccc2C1=O)c1cccs1	101155744	HNKUDEUBFMFYBD-OMYAATJGSA-N	310.378	3.628	30	50	DHEA	
N#Cc1cc(Br)ccc1N1CCCC(F)(F)C1	169725880	IGTWBPGNKDJEEJ-UHFFFAOYSA-N	301.134	3.556	30	50	DHEA	
N#Cc1cccnc1Oc1ccccc1NCC[C@H]1CCCO1	225533886	QCLAFCOMQQYGNF-OAHLLOKOSA-N	309.369	3.727	30	50	DHEA	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\O)C2=O	257345844	LAAMRAVHROVLSR-IUGOMYRHSA-N	316.441	3.931	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2cccc(N3CCCC3)c2)N=N1	952880709	HLWKUTJWQGUBMB-UHFFFAOYSA-N	310.401	3.581	30	50	DHEA	
C=CCOc1cccc(NC(=O)COc2ccc(Cl)cc2)c1	4858509	JWYKEFRAVYINJP-UHFFFAOYSA-N	317.772	3.922	30	50	DHEA	
O=C(COc1ccc(Cl)cc1Cl)ON=C1CCCC1	22339267	UDPXBTNWQBWXBO-UHFFFAOYSA-N	302.157	3.845	30	50	DHEA	
OC(=Nc1nc2cc(F)c(F)cc2s1)[C@H]1C[C@]12CCOC2	329616976	FTAZUUSIYYQVHY-UOWDBTKRSA-N	310.325	3.589	30	50	DHEA	
C=CCSc1nnc(NC(=O)/C=C/c2ccc(F)cc2)s1	2695062	XZBVRLJOJGOTLC-VMPITWQZSA-N	321.402	3.607	30	50	DHEA	
C=CCOc1ccccc1/C=C1\N=C(c2cccs2)OC1=O	2850188	BBZQLIQELXDECO-QBFSEMIESA-N	311.362	3.657	30	50	DHEA	
C(=N/Nc1ncnc2sc3c(c12)CCC3)\c1cccs1	5051533	ZWXWUKSQZWXXFY-REZTVBANSA-N	300.412	3.688	30	50	DHEA	
COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1	224119126	ARQMJYUPRGBWTP-MHWRWJLKSA-N	323.348	3.590	30	50	DHEA	
N#Cc1ccccc1CN1CCCC[C@H]1c1nnc(C2CCC2)o1	286402419	UJUAUZUZPNBBFQ-KRWDZBQOSA-N	322.412	3.936	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2cccc(Cl)c2N(C)C)N=N1	952880957	JDDJCKSPCHQIGM-UHFFFAOYSA-N	318.808	3.700	30	50	DHEA	
Cc1ccc(O)c(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1	5212431	FZTQAZQSDFHQDJ-UHFFFAOYSA-N	313.740	3.642	30	50	DHEA	
CC[C@H](C)N(Cc1ccsc1)Cc1cc(C#CCO)cs1	55099796	SHRMJAICUSDHDN-AWEZNQCLSA-N	319.495	3.954	30	50	DHEA	
N#Cc1ccc(Br)cc1N1CCC(F)(F)CC1	169725874	QYBUQWFGVLMESC-UHFFFAOYSA-N	301.134	3.556	30	50	DHEA	
CC1(C)OB(c2ccc(OCCc3ccccc3)cc2)OC1(C)C	202561266	XNMMDTNMHZSXOR-UHFFFAOYSA-N	324.229	3.607	30	50	DHEA	
C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1ccccc1C#N	408514976	QJTCMPPCLVPOHC-GFCCVEGCSA-N	319.813	3.888	30	50	DHEA	
C=CCCSCCNC(=O)Nc1cc(C(F)(F)F)ccn1	596829948	JXMNXPSCQKIMOZ-UHFFFAOYSA-N	319.352	3.531	30	50	DHEA	
O=C1CCCC2=C1C(c1cccs1)C1=C(CCCC1=O)O2	4276354	FTPKJOJBDBKZQJ-UHFFFAOYSA-N	300.379	3.876	30	50	DHEA	
COc1ccc(/C=C/C(=O)CC(=O)C(Cl)(Cl)Cl)cc1	100471930	RBDDNTZMXDPVFL-GORDUTHDSA-N	321.587	3.607	30	50	DHEA	
N#C[C@H]1CC[C@H](OC(=O)c2cncc(-c3ccc(F)cc3)c2)C1	1875287678	UOEDVBZHNGNPNB-SJCJKPOMSA-N	310.328	3.737	30	50	DHEA	
CCOc1cc(C#N)c(NC(=O)c2cccc(C)c2)cc1OCC	104025	YRWQPWNACUZZIU-UHFFFAOYSA-N	324.380	3.916	30	50	DHEA	
C=CCn1c(S)nnc1[C@H](C)Oc1ccc(Cl)c(C)c1	2536757	QKVAFUUYAUSKTH-JTQLQIEISA-N	309.822	3.855	30	50	DHEA	
CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCO3)c2C#N)C1	4750140	CNUJDWALAIXOJQ-FZMZJTMJSA-N	318.442	3.642	30	50	DHEA	
CCn1nc(C)c([C@H](C#N)N2N=C(C)C[C@H]2c2ccccc2)c1C	4772688	PASFWUUMHKYUSI-ROUUACIJSA-N	321.428	3.907	30	50	DHEA	
COc1cc(/C=N/O)cc(Cl)c1OCc1ccccc1F	16195880	UHFCTRHQCZQCIX-QGMBQPNBSA-N	309.724	3.875	30	50	DHEA	
Cc1cc(C)n(-c2ccccc2CNCc2cccc(C#N)c2)n1	152286845	OFYWJLJTLPLQRM-UHFFFAOYSA-N	316.408	3.651	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2cccc(OC(F)F)c2)N=N1	952882565	VMVFIWWTCYFCPA-UHFFFAOYSA-N	307.300	3.582	30	50	DHEA	
C#CCCC1(CCC(=O)NCC2CC[C@@H]3[C@@H](CC2)C3(F)F)N=N1	1875368588	CBIOGZOZXBZTKO-ZIAGYGMSSA-N	323.387	3.530	30	50	DHEA	
O=C1/C(=C/c2ccccc2)SC(=S)N1/N=C/c1ccccc1	1232943	RWXSCGUFLZZHQD-DARJFKRNSA-N	324.430	3.922	30	50	DHEA	
COC(C#CC(C)(C)N(C)C)(c1ccccc1)c1ccccc1	5027210	UJCRZNFUPOOCNI-UHFFFAOYSA-N	307.437	3.920	30	50	DHEA	
FC(F)(F)c1cccc(N/C(S)=N/Cc2ccccn2)c1	8683699	GGQZXCOCGXDMHR-UHFFFAOYSA-N	311.332	3.998	30	50	DHEA	
Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)o1	13327366	XXMNTDKPJGRUDK-UHFFFAOYSA-N	300.383	3.961	30	50	DHEA	
COc1cccc(N[C@H](CNc2ccc(C#N)cn2)C(C)(C)C)c1	170598750	RUBHRNRVOUIPNS-QGZVFWFLSA-N	324.428	3.901	30	50	DHEA	
Cc1nccn1-c1ccc(CNc2ccc(C#N)cc2F)cc1F	301137361	CBKCAVABYRPZMI-UHFFFAOYSA-N	324.334	3.943	30	50	DHEA	
CC(O)=Nc1ccn([C@H]2CCN([C@@H](C)c3cccc(C)c3)C2)n1	328621215	HORRBARQLKWSJD-YOEHRIQHSA-N	312.417	3.807	30	50	DHEA	
C=CCn1c(-c2cc(C)oc2C)nnc1N(C)CCCSC	351118543	SJFFILSMPYXGQW-UHFFFAOYSA-N	320.462	3.530	30	50	DHEA	
C#Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1	1875329342	RLHYFNORQJSOBT-IBGZPJMESA-N	300.361	3.517	30	50	DHEA	
Cc1ccsc1/C=N/N1CCN(c2ccc(Cl)cc2)CC1	228708	OYXKIVAFCBNKBH-LDADJPATSA-N	319.861	3.866	30	50	DHEA	
C=CCN1C(=O)/C(=C\Nc2ccccc2Cl)SC1=S	6073554	JQTIZXOQZVJLDP-DHZHZOJOSA-N	310.831	3.640	30	50	DHEA	
Cn1cc([C@H]2CCCN2c2ccc(C#N)c(C(F)(F)F)c2)cn1	109129405	QUNWOHDERNQBNO-OAHLLOKOSA-N	320.318	3.652	30	50	DHEA	
CC#CC(=O)N[C@H](c1cccc(OC)c1)c1ccccc1Cl	408515902	IKQNZGKFQFWWLF-GOSISDBHSA-N	313.784	3.578	30	50	DHEA	
COC(=O)c1ccc(COc2ccc(/C=C/C(C)=O)cc2)cc1	447263	VCCIWELLQXXMAI-ONEGZZNKSA-N	310.349	3.654	30	50	DHEA	
C=CCOc1cccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c1	2844862	LVXYZENXWDQTNK-ATVHPVEESA-N	323.323	3.735	30	50	DHEA	
Fc1ccccc1/C=N/Nc1nc(Cl)nc2ccccc12	5277836	MEDLOMPEMQDACN-GIJQJNRQSA-N	300.724	3.868	30	50	DHEA	
N#Cc1ccc(CSc2nnc(COc3ccccc3)o2)cc1	16527079	CNCKIOUTEYCWJJ-UHFFFAOYSA-N	323.377	3.813	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C	16968840	VGJUOWGYQZYCII-CDPKGHFDSA-N	314.469	3.674	30	50	DHEA	
COc1ccc([C@@H]2CC(=O)C=C(NCc3ccccc3)C2)cc1	100305129	PGIUGRRIANVBPE-KRWDZBQOSA-N	307.393	3.815	30	50	DHEA	
CC1(C)OB(c2ccc(OC3CCCCC3)cc2)OC1(C)C	200133284	GLZDNMLUSAZKBG-UHFFFAOYSA-N	302.223	3.697	30	50	DHEA	
C=CCOc1cccc(C(=O)N2CCC[C@@H]2c2cc(C)no2)c1	952961362	LEKYBUIQSDRNJL-MRXNPFEDSA-N	312.369	3.525	30	50	DHEA	
O=C1C(Cl)=C(Nc2ccc(F)c(F)c2)C(=O)c2ccccc21	455377	DWIVXKJTVKYOLH-UHFFFAOYSA-N	319.694	3.906	30	50	DHEA	
COc1ccccc1/C=N/n1c(-c2ccccc2C)n[nH]c1=S	1475943	ZAANXHLAEFXAGF-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
FC(F)(F)[C@]1(F)C(F)(F)C(F)(F)[C@@]1(F)C(F)(F)F	6827626	RBTROQHBNLSUTL-JCYAYHJZSA-N	300.042	3.812	30	50	DHEA	
O=C1CS/C(=N\c2ccc(F)cc2)N1c1ccc(F)cc1	15016600	SGWYGEIBXLSXIE-SDXDJHTJSA-N	304.321	3.732	30	50	DHEA	
CCc1onc(C)c1/C(O)=N/C[C@@H]1CCCc2sc(C)nc21	328618041	DHQGCVWOVHFXBF-NSHDSACASA-N	319.430	3.735	30	50	DHEA	
CCOc1ccc(-c2cccc(COCCOC)c2)cc1C#N	592986067	KVTAHRLRLUPDBS-UHFFFAOYSA-N	311.381	3.787	30	50	DHEA	
N#Cc1ccc(CCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1	1875341685	CLFWPMDHXKHLBK-UHFFFAOYSA-N	322.452	3.823	30	50	DHEA	
Cc1occc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	433133	LVQZYWGJXIBWLK-VIFPVBQESA-N	300.383	3.898	30	50	DHEA	
Cc1ccc(S(=O)(=O)OCCc2ccc(Cl)cc2)cc1	1686433	OIWKPVLNEDEDPC-UHFFFAOYSA-N	310.802	3.596	30	50	DHEA	
Cc1cccc(C(=O)O/N=C(\N)Cc2cccc3ccccc23)c1	4191365	TZSVJUVMSYEZSQ-UHFFFAOYSA-N	318.376	3.820	30	50	DHEA	
CCc1nc(SCc2nc3ccccc3[nH]2)c(C#N)cc1C	4620495	CDEUOWIVJUPWJH-UHFFFAOYSA-N	308.410	3.993	30	50	DHEA	
C=CCNCCOc1c(C)cc(Cl)cc1Br	4841150	PBMHTMIRWGSDMD-UHFFFAOYSA-N	304.615	3.565	30	50	DHEA	
C#CCCC(=O)N(Cc1cccc(C)c1)Cc1ccccc1OC	55074653	YQTNOPPVAGNESU-UHFFFAOYSA-N	321.420	3.946	30	50	DHEA	
CCS[C@@H]1CCCCN(Cc2cn3ccccc3c2C#N)C1	170625705	RJIOZBMJKCZMKW-MRXNPFEDSA-N	313.470	3.919	30	50	DHEA	
[N-]=[N+]=Nc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1	1875298693	KKESOOUITXFAMH-UHFFFAOYSA-N	323.341	3.794	30	50	DHEA	
Cc1cccc(NC(=S)N/N=C/c2ccc(Cl)cc2)c1	731277	NUCVGMVSAMXWFX-LICLKQGHSA-N	303.818	3.969	30	50	DHEA	
O=c1c2ccccc2[nH]c(=S)n1/N=C/c1ccc(Cl)cc1	6161423	DBJJUIGAWKZXID-RQZCQDPDSA-N	315.785	3.595	30	50	DHEA	
Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OCc1ccccc1	216632140	IOYGVFMIUSMODB-UHFFFAOYSA-N	324.229	3.873	30	50	DHEA	
CC(C)(Cc1ccc(C#N)cc1)NCc1cc2cnccc2o1	922603785	MUUNVJBREFTEHB-UHFFFAOYSA-N	305.381	3.810	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2ccc(N(C)C)c(Cl)c2)N=N1	952881707	MMWRLQRFJHOSRN-UHFFFAOYSA-N	318.808	3.700	30	50	DHEA	
Cc1cc(C)c(C#N)c(SC[C@@H]2COc3ccccc3O2)n1	266911	OZODCRVNXSUEMZ-ZDUSSCGKSA-N	312.394	3.502	30	50	DHEA	
C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc2ccccc2c1	5382169	DUIPXEXTIRVLBX-XMHGGMMESA-N	324.405	3.542	30	50	DHEA	
C=CCOc1ccccc1CN(CCN(C)C)Cc1ccccc1	19632790	ABXDLGDVEMWZCY-UHFFFAOYSA-N	324.468	3.815	30	50	DHEA	
Cc1c(COc2ccccc2)cccc1NC(=O)N[C@H](C)CC#N	161646248	XTRIQRDQOSZODB-CQSZACIVSA-N	323.396	3.998	30	50	DHEA	
C(/C=C/c1ccccc1)=NN1CCN(Cc2ccccc2)CC1	245391875	IUYKBDHNKXPWCD-RKYOKCDMSA-N	305.425	3.503	30	50	DHEA	
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@H]2/C(=N/N)C[C@@]2(C)CCC[C@H]12	5276524	OACCTZFVZNCBCK-BRJIZPIISA-N	304.478	3.705	30	50	DHEA	
C=CCN(Cc1ccc(C)s1)C(=O)c1ccc(COC)o1	55385893	SUTNACSVKOFLJG-UHFFFAOYSA-N	305.399	3.624	30	50	DHEA	
O=C1C=C(NCc2ccc3c(c2)OCO3)C[C@H](c2ccccc2)C1	100618617	ADNBYNXCQXXKSF-INIZCTEOSA-N	321.376	3.536	30	50	DHEA	
C=CCn1cc(CN[C@H](C)Cn2ccc3ccccc32)c(C)n1	55405229	DTOBVMSNNMKDMT-OAHLLOKOSA-N	308.429	3.511	30	50	DHEA	
C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2C(C)C	72115858	AJNKFHJZNFHOBA-CQSZACIVSA-N	311.385	3.503	30	50	DHEA	
COc1cccc([C@@H](C#N)N2N=C(C)C[C@H]2c2ccccc2)c1O	252430626	BCVANOKFMWNSTE-DLBZAZTESA-N	321.380	3.788	30	50	DHEA	
CCc1cccc(C)c1NC(=O)C[n+]1csc2ccccc21	3107049	FRUMLEIHWUMKAU-UHFFFAOYSA-O	311.430	3.698	30	50	DHEA	
O=C(O)c1ccccc1/N=C/c1cc(Br)ccc1O	5514822	NQGZOBSSPFKBAH-LZYBPNLTSA-N	320.142	3.604	30	50	DHEA	
CCCCCCCN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O	100095847	RQWUJXIMIZPFKG-OAHLLOKOSA-N	322.836	3.532	30	50	DHEA	
C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(Br)cc2)C1	116800505	SCTSVTPPIYHASO-ABAIWWIYSA-N	321.218	3.651	30	50	DHEA	
S=c1[nH]nc(-c2ccco2)n1/N=C/c1ccc(Cl)cc1	1305267	HXFBDUNKAVHCRG-OVCLIPMQSA-N	304.762	3.736	30	50	DHEA	
C=CCNC(=O)[C@@H]1CC1(c1ccc(C)cc1)c1ccc(C)cc1	5091758	IWMVOIOBRDCWPN-IBGZPJMESA-N	305.421	3.912	30	50	DHEA	
C=CC[C@H](COCc1ccc(OC)cc1)O[C@@H]1CCCCO1	43763373	YKXFWQOZFAGCTP-QZTJIDSGSA-N	306.402	3.700	30	50	DHEA	
Cc1ccc(NCc2ccccc2CN2CCCCC2)nc1C#N	170604891	PZVOUWCSSQDVLZ-UHFFFAOYSA-N	320.440	3.860	30	50	DHEA	
CC1(C#N)CCN(C(=O)[C@]2(c3cccs3)CC2(C)C)CC1	219888970	NXXXPFRSUJJQGM-QGZVFWFLSA-N	302.443	3.568	30	50	DHEA	
N#CCc1c(Br)c(F)cc(F)c1Br	263624844	UQRQRXPSKIPIOD-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
C#Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)cc2)cc1	1875329220	KVCMNSIFQMRJPI-IBGZPJMESA-N	300.361	3.517	30	50	DHEA	
Cc1ccc(N2CCN(/N=C\c3cccc(Cl)c3)CC2)cc1	4599332	ZBLPVWWCRJTYCZ-ZHZULCJRSA-N	313.832	3.805	30	50	DHEA	
Cc1cccc(-c2[nH]ncc2C=C2C(=O)c3ccccc3C2=O)c1	170621171	ITTURGCGFSAHFB-UHFFFAOYSA-N	314.344	3.848	30	50	DHEA	
CCCCCc1ccc(/C(C)=N/Nc2nc(C)cc(=O)[nH]2)cc1	13303715	SEJIOMVZHHFNKO-KGENOOAVSA-N	312.417	3.647	30	50	DHEA	
OC(=Nc1nc2cc(F)c(F)cc2s1)[C@@H]1C[C@]12CCOC2	329616977	FTAZUUSIYYQVHY-WJWGPLDTSA-N	310.325	3.589	30	50	DHEA	
Cc1ccc(NCc2cccc(C#N)c2)cc1C(=O)N(C)C(C)C	195455619	WEIVEWVHJCSNFD-UHFFFAOYSA-N	321.424	3.959	30	50	DHEA	
N#Cc1sc2nc(N3CCCCC3)c3c(c2c1N)CCCC3	4785756	RRLGGVIHPNVPDU-UHFFFAOYSA-N	312.442	3.619	30	50	DHEA	
N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H](C(F)(F)F)C1	172277271	VKPKCAUIQDUSSL-SECBINFHSA-N	323.240	3.751	30	50	DHEA	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)/C=C/c1cccc(C#N)c1	175718315	RFZAXTPLFSBZPF-HHFDCEGOSA-N	316.404	3.976	30	50	DHEA	
OC(=Nc1cccc2c1OCCC2)c1cc(F)c(F)c(O)c1F	328587334	CVAJXIDAOQBXAX-UHFFFAOYSA-N	323.270	3.771	30	50	DHEA	
N#C[C@]1(C(O)=NNc2ccccc2F)CCc2ccccc2C1	328592958	HHOMBHGBHAFNHF-SFHVURJKSA-N	309.344	3.808	30	50	DHEA	
O=C1N/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1ccccc1	13476749	GVEAYMMCIZSWDL-AWEZNQCLSA-N	316.813	3.802	30	50	DHEA	
C=CCNCC[C@H]1CCC(=O)N1[C@@H](C)c1ccc(Cl)cc1	14954994	XKHYVTFVRABDSZ-XJKSGUPXSA-N	306.837	3.558	30	50	DHEA	
C=CCCC(=O)N1CCC[C@@H](CCc2ccc(OC)cc2)C1	65493300	STOJVBGZIXGDTE-KRWDZBQOSA-N	301.430	3.833	30	50	DHEA	
CCCOc1ccc(NC(=O)c2cc(C#N)cn2C)cc1Cl	81033968	JFJXBTBLQKHDMU-UHFFFAOYSA-N	317.776	3.591	30	50	DHEA	
CC(C)(C)OC(=O)N1C=C(B2OC(C)(C)C(C)(C)O2)CCC1	202131143	VXOCSENAGKVASP-UHFFFAOYSA-N	309.215	3.533	30	50	DHEA	in-vitro
Cn1cc(N/C(O)=N/CCC2=CCCCC2)c(C(F)(F)F)n1	330876500	JTTMGENSLXJYTO-UHFFFAOYSA-N	316.327	3.655	30	50	DHEA	
COc1cccc(/C=N/c2ccc(Br)cc2)c1O	502660	IKETWNOKIWCWJQ-CXUHLZMHSA-N	306.159	3.914	30	50	DHEA	
O=C1CCCC2=C1C(c1cccc(F)c1)C1=C(CCCC1=O)O2	2990608	FVIGCDUZVGXOGK-UHFFFAOYSA-N	312.340	3.954	30	50	DHEA	
CC/C(=N\Nc1nnc2c(n1)[nH]c1ccccc12)c1ccccc1	23549973	SNXBQVUGJKSRHZ-KGENOOAVSA-N	316.368	3.732	30	50	DHEA	
N#C[C@@H]1CCC[C@H](CC(=O)N2CCSC23CCCCC3)C1	2325773473	FPRMGKIBCRMYOG-LSDHHAIUSA-N	306.475	3.942	30	50	DHEA	
COc1c(C)cccc1C(=O)Nc1sc2c(c1C#N)CCC2	12651503	MIJLJGNRHQINNG-UHFFFAOYSA-N	312.394	3.678	30	50	DHEA	
Sc1nnc(-c2ccccc2)n1/N=C/C=C/c1ccccc1	17179867	UDTHRFOLUQLNEZ-CVUDBVLYSA-N	306.394	3.781	30	50	DHEA	
N#Cc1ccc(Br)cc1N1CCCC(F)(F)C1	169725873	GETGDLQLAKRYBV-UHFFFAOYSA-N	301.134	3.556	30	50	DHEA	
CC[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@]1(C#N)CC12CCCC2	597886632	PDCNBUWCCPNLMU-LPHOPBHVSA-N	314.404	3.737	30	50	DHEA	
CCOc1cc(C#N)c(NC(=O)C2CCCCC2)cc1OCC	104145	DNJRUXJVQOYNIW-UHFFFAOYSA-N	316.401	3.874	30	50	DHEA	
CCc1nc(NCc2ccccc2)c(C#N)c2c1COC(C)(C)C2	19313094	HZAJXJWHNNNXRQ-UHFFFAOYSA-N	321.424	3.979	30	50	DHEA	
COCO[C@@H]1CCC[C@H]2C(=O)C=C3C(C)(C)CC=C[C@]3(C)[C@H]12	71786576	MMLXESSTQYAIPH-PZFZOXMESA-N	304.430	3.893	30	50	DHEA	
C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2C(C)C	72115857	AJNKFHJZNFHOBA-AWEZNQCLSA-N	311.385	3.503	30	50	DHEA	
CC(C)C[C@H](C)OC(=O)N1CCC(C#N)(c2ccccn2)CC1	495868346	KHVJUAIYQNXMQK-HNNXBMFYSA-N	315.417	3.510	30	50	DHEA	
C=CCN1C(=O)S/C(=C/c2ccc(OCC(C)C)cc2)C1=O	1133904	ODKYGPRWQPHXIX-XNTDXEJSSA-N	317.410	3.944	30	50	DHEA	
CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCC#N)cc12	2317746	UTHDMBMEFZHWNK-UHFFFAOYSA-N	301.342	3.809	30	50	DHEA	biogenic
CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21	3800706	WSEQXVZVJXJVFP-FQEVSTJZSA-N	324.399	3.813	30	50	DHEA	endogenous,fda
CCCc1n(CCC)c2ccccc2[n+]1CC(=O)C(C)(C)C	5567983	AVRPFVZCWKFFME-UHFFFAOYSA-N	301.454	3.907	30	50	DHEA	
CC(C)(C)OC(=O)N[C@@H]1C=C(B2OC(C)(C)C(C)(C)O2)CCC1	201187592	KVZYKJVSNKXWQC-ZDUSSCGKSA-N	323.242	3.621	30	50	DHEA	in-vitro
Cc1nc(C#N)n(Cc2nc(-c3ccc(C(C)C)cc3)no2)c1C	603351944	LHHOFPKVEHPRGC-UHFFFAOYSA-N	321.384	3.593	30	50	DHEA	
COc1cccc(-c2nc(CNc3ccc(C#N)cc3)co2)c1	2325822773	ODDIZNYNDSEEGQ-UHFFFAOYSA-N	305.337	3.834	30	50	DHEA	
C=CCc1ccc(OCc2nc3ccccc3n2C)c(OC)c1	4385944	LYPHABDDCOLEIR-UHFFFAOYSA-N	308.381	3.889	30	50	DHEA	
CC(Nc1ccc2c(c1)CCC2)=C1C(=O)c2ccccc2C1=O	4811818	KWCOFVPVSOJJRQ-UHFFFAOYSA-N	303.361	3.940	30	50	DHEA	
CSC1=N/C(=C\c2ccc(Br)s2)C(=O)S1	4906723	NBXHBLZMDSITCG-XQRVVYSFSA-N	320.258	3.844	30	50	DHEA	
C=CCN1C(=O)/C(=C/c2cc(C)n(CC)c2C)SC1=S	15988006	KBHCABSNFSASTP-LCYFTJDESA-N	306.456	3.512	30	50	DHEA	
C[C@@H](c1ccco1)n1ccnc1-c1ccc(C#CC(C)(C)O)cc1	77470497	MKLYKYNIGHWFPZ-HNNXBMFYSA-N	320.392	3.875	30	50	DHEA	
CCc1c(/C(O)=N/[C@H]2CC(C)(C)OC2(C)C)cnn1C(C)(C)C	330717117	ABAJDCTUJDYWBG-AWEZNQCLSA-N	321.465	3.851	30	50	DHEA	
CC(C)(O)C#Cc1ccc(CN2CC[C@@H]2c2ccc(F)cc2)cc1	826585003	NFVSWUAZOBZEEY-HXUWFJFHSA-N	323.411	3.895	30	50	DHEA	
CCOC(=O)c1ccccc1N/C=C/C(=O)c1ccc(F)cc1	1776111358	QPXMPRXIESKILO-VAWYXSNFSA-N	313.328	3.811	30	50	DHEA	
Cn1cc(CN2CCc3[nH]c4c(Cl)cccc4c3C2)cc1C#N	72431796	KQBMPQCSDLUZFL-UHFFFAOYSA-N	324.815	3.590	30	50	DHEA	
Cc1nc(CC(C)C)sc1C(=O)NCC1CCC(C#N)CC1	241719905	QQRBNAJHCXLCAA-UHFFFAOYSA-N	319.474	3.710	30	50	DHEA	
CN(CCC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(C#N)nc1	584894500	CKHSVYFPAZUIDW-UHFFFAOYSA-N	323.440	3.632	30	50	DHEA	
CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1	18123106	AEHPFZBWBJOWJB-IBGZPJMESA-N	322.364	3.806	30	50	DHEA	
Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccccc2C#N)C1	77485000	BFAGMOYCUWFJKA-QGZVFWFLSA-N	304.393	3.887	30	50	DHEA	
COc1ccc(CNc2cc(C#N)ccc2C)c(OC)c1OC	170602315	RBEXAEMOYIQOSX-UHFFFAOYSA-N	312.369	3.505	30	50	DHEA	
COc1cc(/C=N/c2cccc(Br)c2)ccc1O	431751	CHZAUIKELXPICJ-CXUHLZMHSA-N	306.159	3.914	30	50	DHEA	
Cc1ccc(/C=N/n2c(C)nc3sc(C)c(C)c3c2=O)cc1	2749372	DLWGCFYEHGOZNV-GIJQJNRQSA-N	311.410	3.574	30	50	DHEA	
N#C[C@@H]1C[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]12	4566201	SQQCPUXEABHILA-WDSOQIARSA-N	300.361	3.809	30	50	DHEA	
NC(=O)c1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1	13130603	RRSJFCZUAOKWEF-CNHKJKLMSA-N	309.152	3.549	30	50	DHEA	
N#Cc1ccc(N2CCCCC[C@H]2C[C@H](O)c2ccccc2)nc1	170024427	AEHBLUOYFCQCET-OALUTQOASA-N	321.424	3.826	30	50	DHEA	
C=C/C(O)=N/C[C@H](C(=O)OCc1ccccc1)c1ccccc1	328600190	WMZQCJMTHUQGSW-KRWDZBQOSA-N	309.365	3.656	30	50	DHEA	
Cc1[nH]c2ccc(C(=O)N3CCCC(C)(C)[C@H]3C#N)cc2c1C	408400779	WYKOGNQULGFKDQ-QGZVFWFLSA-N	309.413	3.939	30	50	DHEA	
Cc1nc(C#N)ccc1C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1	1875369084	QCGSOHJIZRWAGQ-KDOFPFPSSA-N	319.408	3.528	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2ccc(CN(C)C3CC3)cc2)N=N1	2325886440	YECVDYBDCIDEHG-UHFFFAOYSA-N	324.428	3.575	30	50	DHEA	
Cc1ccc(-c2cc[n+](CC(=O)c3ccc(F)cc3)cn2)c(C)c1	2529503	SWVHLTBTCPIVOI-UHFFFAOYSA-N	321.375	3.675	30	50	DHEA	
C=CCOc1ccccc1CNC(=O)N[C@H]1CC[C@H](C)CC1	477471972	PPUMAEQDFFTSMT-KOMQPUFPSA-N	302.418	3.629	30	50	DHEA	
N#C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccncc2)s1	1875270410	IPNIRUQQIPKROY-KGLIPLIRSA-N	311.410	3.622	30	50	DHEA	
COC(=O)CCC[C@@](C#N)(c1ccccc1)c1ccccc1C#N	3133340	PTJGIZYCSHDGIP-HXUWFJFHSA-N	318.376	3.711	30	50	DHEA	
CC[C@H](C(=O)O/N=C(\N)c1ccc(Cl)cc1)c1ccccc1	4845224	ZCPUDMKRQIIYCK-HNNXBMFYSA-N	316.788	3.697	30	50	DHEA	
C=CCOc1c(Cl)cc(CNCc2ccccn2)cc1OC	6710183	QRAOGTVZSRWSLB-UHFFFAOYSA-N	318.804	3.598	30	50	DHEA	
CNc1oc(-c2ccc(COc3ccc(C)cc3)o2)nc1C#N	8654590	CFAKRXYWPUPWPO-UHFFFAOYSA-N	309.325	3.735	30	50	DHEA	
CCOc1ccc(N/C=C\C(=O)c2ccc3c(c2)OCO3)cc1	100572706	NRDYTMHBBUJWEB-KTKRTIGZSA-N	311.337	3.623	30	50	DHEA	
CC1(C)OB(c2ccc(COc3ccccc3)cc2)OC1(C)C	169746016	YLEMWKPHWXIWOL-UHFFFAOYSA-N	310.202	3.565	30	50	DHEA	in-vitro
C=CCN(Cc1ccccc1OC)C(=O)c1ccc(O)cc1C	1506415094	VFFJYAUAJMWVAU-UHFFFAOYSA-N	311.381	3.538	30	50	DHEA	
O=C(/C(=N/N=C/c1cncs1)c1ccccc1)c1ccccc1	1875263090	BGGUTFAPECJLCE-PPTAUHKUSA-N	319.389	3.849	30	50	DHEA	
O=C1/C(=C\c2ccc(N3CCOCC3)cc2)Sc2ccccc21	5800299	OKZVWEYBZMZEJV-QGOAFFKASA-N	323.417	3.853	30	50	DHEA	
CCCCc1n(C)c2ccccc2[n+]1CC(=O)c1ccccc1	17271486	NKMXECOFTMWDBU-UHFFFAOYSA-N	307.417	3.691	30	50	DHEA	
N#Cc1ccc(N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)nc1	170024429	AEHBLUOYFCQCET-RTBURBONSA-N	321.424	3.826	30	50	DHEA	
CC1(C#N)CCN(C(=O)[C@@]2(c3cccs3)CC2(C)C)CC1	219888942	NXXXPFRSUJJQGM-KRWDZBQOSA-N	302.443	3.568	30	50	DHEA	
C=CCC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccco1	225633072	HFAWPFKHUHUHME-HUUCEWRRSA-N	320.433	3.886	30	50	DHEA	
O=C1/C(=C/c2cc(O)ccc2[N+](=O)[O-])Oc2ccc(Cl)cc21	299738197	ITWKCYZTRZZUMG-NSIKDUERSA-N	317.684	3.570	30	50	DHEA	
Cc1cc(C(F)(F)F)c(C#N)c(SCc2cccnc2)n1	335559	PDCZCSWQRLHGAF-UHFFFAOYSA-N	309.316	3.968	30	50	DHEA	
CSC1=N/C(=C\c2ccc(Br)cc2)C(=O)S1	4755404	NUJAVYZJTMHBRW-TWGQIWQCSA-N	314.229	3.782	30	50	DHEA	
C=CCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	4841834	AYWXWFDFVKTVLE-UHFFFAOYSA-N	312.325	3.720	30	50	DHEA	
C=CCc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC	12379662	WIEUUAVAOWMVKT-UHFFFAOYSA-N	324.380	3.634	30	50	DHEA	
O=C1C=CN(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)C1	38440473	HTXHSSNSXZBPKU-GOSISDBHSA-N	307.349	3.853	30	50	DHEA	
C#CCNc1nc(-c2ncc(C(F)(F)F)cc2Cl)cs1	263639635	BGKTUTCGQWKARK-UHFFFAOYSA-N	317.723	3.922	30	50	DHEA	
Cc1c(C#N)cccc1C(=O)Nc1c[nH]nc1-c1ccccc1F	338212334	LHYVFRQMUXJTCH-UHFFFAOYSA-N	320.327	3.648	30	50	DHEA	
CCc1c(C)sc(NC(=O)c2cc(C3CC3)on2)c1C#N	2497990	TZNWDLLWEJLMRI-UHFFFAOYSA-N	301.371	3.608	30	50	DHEA	
Cc1nc2c(s1)CCC[C@H]2C/N=C(/O)Cc1c(C)noc1C	328631009	QLHUGWOBWDSKNH-LBPRGKRZSA-N	319.430	3.675	30	50	DHEA	
N#C[C@H](C(=O)CCCc1ccncc1)c1nc2ccccc2s1	2325855180	LBZSIGZVXRAMSX-CQSZACIVSA-N	321.405	3.890	30	50	DHEA	
O=C1C[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	439472	VZJKCTRPMRVUEA-DLBZAZTESA-N	317.388	3.691	30	50	DHEA	
COc1ccc(C[S@@](=O)Cc2cccc(C#N)c2)cc1Cl	170610998	YGFAYPVKTJUITG-NRFANRHFSA-N	319.813	3.669	30	50	DHEA	
CCOC(=O)C[N+]1(C[C@@H]2[C@H](C)C=C(C)C[C@H]2C)CCCCC1	245253923	STWYYIRIFPLEOS-KZNAEPCWSA-N	308.486	3.789	30	50	DHEA	
Cc1ncc2n1C[C@H](C(O)=Nc1cccc(C(F)F)c1)CC2	328598140	KJJAZIDLBJYYLK-GFCCVEGCSA-N	305.328	3.980	30	50	DHEA	
N#C[C@H](C(=O)CCc1cccnc1)c1nc2ccccc2s1	915099575	XWTGIPQYTOWTNE-CYBMUJFWSA-N	307.378	3.500	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2ccc(N3CCCC3)cc2C)N=N1	952883485	XWJWXRUFMSKPJZ-UHFFFAOYSA-N	324.428	3.889	30	50	DHEA	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)C[n+]1cccc3ccccc31)C2	108967394	LCEPHTAMDNHLQC-CDXJDZJCSA-N	324.444	3.885	30	50	DHEA	
N#C[C@@H](COC(=O)c1cnc(C2CC2)s1)Cc1ccccc1	170654762	XNYFSWMNIBPMLT-ZDUSSCGKSA-N	312.394	3.560	30	50	DHEA	
C[C@]1(C#N)CCCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)C1	426523755	YHOAFZYGOXRFBY-HXUWFJFHSA-N	320.392	3.825	30	50	DHEA	
C#Cc1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)ccn2)cc1	1875329254	MWJZQLLFVRTWSR-KRWDZBQOSA-N	310.784	3.694	30	50	DHEA	
N/C(=N\c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1	6321680	ATTSQSGOYJWVGY-UHFFFAOYSA-N	309.247	3.651	30	50	DHEA	
Cc1ccc(C)c(OC2CCN(C[C@H](C#N)CCC#N)CC2)c1	112559901	VWSMWUCFMFKWLS-KRWDZBQOSA-N	311.429	3.590	30	50	DHEA	
C#CCCC1(CCC(=O)N2CCC3(CC2)CCC(F)(F)C3)N=N1	1875381756	GRYHDGOGESGYSJ-UHFFFAOYSA-N	323.387	3.770	30	50	DHEA	
CCCCCCCN[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O	33353621	FYPCVVXZDOORMJ-HNNXBMFYSA-N	322.836	3.532	30	50	DHEA	
Cc1nccc(N=C(O)N2CCC[C@H](c3ccccc3)CC2)n1	330127762	NCOFRLCXOPWYTG-INIZCTEOSA-N	310.401	3.600	30	50	DHEA	
C=CCc1cc(CN(C)CC[C@H]2CCCCO2)ccc1OC	1506415082	UZHPPWPWYGCZHM-GOSISDBHSA-N	303.446	3.815	30	50	DHEA	
Nc1ccc(C(=O)c2ccccc2)cc1NC1=CC(=O)CCC1	95221250	FAUBNUSWQABNEC-UHFFFAOYSA-N	306.365	3.549	30	50	DHEA	
C#Cc1cccnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	115852128	JDDBZBMRURPAAT-UHFFFAOYSA-N	318.373	3.740	30	50	DHEA	
N#Cc1cn(C(=O)COc2ccc(F)cc2F)c2ccccc12	220970698	ZYLGVVCMBUSOBS-UHFFFAOYSA-N	312.275	3.510	30	50	DHEA	
C[C@H](N/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1)c1ccco1	328629196	OPJXCCZXVMSLGE-YSVLISHTSA-N	314.385	3.622	30	50	DHEA	
C[C@@H](NC(=O)c1ccc2ncsc2c1)c1cccc(C#N)c1	610364459	UKGRULYNJXXPKA-LLVKDONJSA-N	307.378	3.659	30	50	DHEA	
Cc1cc(OCC(=O)Nc2cccc(C#N)c2)ccc1Cl	455286	NQTCMBONIUISCY-UHFFFAOYSA-N	300.745	3.538	30	50	DHEA	
C=Cc1cccc(-c2c(C#N)c(N)nc3c2N2CCC3CC2)c1	101375678	VTTLFAGDMPALCX-UHFFFAOYSA-N	302.381	3.543	30	50	DHEA	
O=C(Nc1ccc(Cl)cc1)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]3O[C@@H]3[C@H]12	254352351	SHXFBSIHHBENLA-PHBQDPKESA-N	319.788	3.700	30	50	DHEA	
C=CCN1C(=O)/C(=C\c2cn(C)c3ccccc23)SC1=S	970599	CLGJYSQAMDHHLY-NTEUORMPSA-N	314.435	3.566	30	50	DHEA	
C=CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1	4841627	RRLOMGZDTPBBCU-UHFFFAOYSA-N	313.353	3.521	30	50	DHEA	
CC(C)c1csc([C@@H](C#N)C(=O)[C@H](C)N2CCCCCC2)n1	125194221	CJAUHRZWOJRZTP-KBPBESRZSA-N	319.474	3.707	30	50	DHEA	
CC[C@H](C)[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)C(F)(F)F	277512648	FTKYKJHKUQNHGS-JVXZTZIISA-N	320.261	3.543	30	50	DHEA	
CC1(C)OB(c2ccc(C(F)F)cc2C(F)(F)F)OC1(C)C	1775955603	JXEXZKWTMWJUEB-UHFFFAOYSA-N	322.082	3.942	30	50	DHEA	
Cc1cc(NCc2cccnc2)n2c(nc3ccccc32)c1C#N	406775	HGKNQTQOECYRNA-UHFFFAOYSA-N	313.364	3.675	30	50	DHEA	
N#C[C@@]1(Br)C(=O)c2ccccc2CC12CCCC2	1225879	JTAXEYUUGYEEJS-OAHLLOKOSA-N	304.187	3.643	30	50	DHEA	
O=C1C(=Cc2cc([N+](=O)[O-])ccc2Cl)C(=O)c2ccccc21	2543539	VFVZHPDFDYTGGD-UHFFFAOYSA-N	313.696	3.711	30	50	DHEA	
O[C@](C#CCN1CCCCCC1)(c1ccccc1)C1CCCC1	4819807	UGXGHBWOZDIBTC-OAQYLSRUSA-N	311.469	3.944	30	50	DHEA	
CCCc1c(NC(=O)c2ccco2)cnn1-c1cccc(C#N)c1	368942024	SOIPSYMSJNXSBZ-UHFFFAOYSA-N	320.352	3.542	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)nc2)cc1	1875387185	SPCYOWHYOWLWIA-MRXNPFEDSA-N	310.784	3.694	30	50	DHEA	
CCCNc1cc(N2CCC(C#N)(C3CCCC3)CC2)ncn1	2325799521	FFZDDBHQQYDLJY-UHFFFAOYSA-N	313.449	3.599	30	50	DHEA	
CC(C)(C#CC(O)(c1ccccc1)c1ccccc1)N1CCCC1	1234563	VVRAXKHDDFJXEZ-UHFFFAOYSA-N	319.448	3.800	30	50	DHEA	
C=CCn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21	2721461	IVCUHKAEZLOOCO-UHFFFAOYSA-N	319.408	3.503	30	50	DHEA	
C=CCc1ccc(OCCCn2nnc3ccccc32)c(OC)c1	4851132	KZEPOHRPKINXJV-UHFFFAOYSA-N	323.396	3.638	30	50	DHEA	
C=CCN(Cc1cccnc1)C(=O)[C@@]12CC[C@@H](C1)C(C)(C)C2=C	67673894	NRAAITDJTSBTIB-PXNSSMCTSA-N	310.441	3.979	30	50	DHEA	
Fc1c(F)c(F)c(OC(F)(F)C(F)(F)F)c(F)c1F	143346336	DXCBQWWXMZTQFK-UHFFFAOYSA-N	302.067	3.916	30	50	DHEA	
N#C[C@@H]1CCC[C@H]1OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	253426220	YPDSHJNZCBDRLA-SCLBCKFNSA-N	308.381	3.896	30	50	DHEA	
Clc1ccc(Sc2ccc(/C=N/n3cnnc3)o2)cc1	443532	ISUIGAVIOQMGCY-REZTVBANSA-N	304.762	3.558	30	50	DHEA	
C=CCSc1nnc2c3c4c(sc3nc(C)n12)CCCC4	2492517	OSFJEBKPCQCHPR-UHFFFAOYSA-N	316.455	3.804	30	50	DHEA	
O=C1CCCC2=C1[C@H](c1ccco1)C1=C(N2)c2ccccc2C1=O	18031187	MSYGTPPRUXLLFU-KRWDZBQOSA-N	317.344	3.581	30	50	DHEA	
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cc[nH]n2)cc1	755221468	YYLOWSNHUSITFS-INIZCTEOSA-N	317.352	3.709	30	50	DHEA	
COc1ccc(OC)c(N/C=C/C(=O)c2ccc(F)cc2)c1	1776111283	LINNRGJOROCCNO-MDZDMXLPSA-N	301.317	3.651	30	50	DHEA	
Cc1cccc[n+]1CC(=O)c1ccc2c(c1)Cc1ccccc1-2	2566521	NFFHDXJWUOEECR-UHFFFAOYSA-N	300.381	3.737	30	50	DHEA	
N#Cc1ccc(CN2CCC[C@@H](c3nccn3CC3CC3)C2)cc1	82107852	PNOMBVQOOMRNDU-LJQANCHMSA-N	320.440	3.544	30	50	DHEA	
O=C1CCCC(=O)C1=C1NC2(CCCCCC2)Cc2ccccc21	100579310	KGYAVIOGYDBQJG-UHFFFAOYSA-N	323.436	3.959	30	50	DHEA	
Cc1ccccc1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1	170007577	KZMFAHHNQYUJON-UHFFFAOYSA-N	322.213	3.525	30	50	DHEA	
Cc1cc(C)c(N=C(O)c2cn(C)nc2C(C)(C)C)c(C)n1	331139119	JNRNFPBJMZEOHU-UHFFFAOYSA-N	300.406	3.674	30	50	DHEA	
C=CCCC(=O)N(Cc1ncc[nH]1)c1cc(C)ccc1Cl	408515732	ZDHZGHPBFMOWMG-UHFFFAOYSA-N	303.793	3.871	30	50	DHEA	
COc1ccc([C@H]2CC(=O)C=C(NCCc3ccccc3)C2)cc1	4600425	FNACEXBSAXQOQH-GOSISDBHSA-N	321.420	3.858	30	50	DHEA	
COc1ccc(C(=O)/C=C(\C)Nc2ccc(NC(C)=O)cc2)cc1	8829719	RYFNHIWVWLQEHP-OUKQBFOZSA-N	324.380	3.852	30	50	DHEA	
Nc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1	17030745	VQJUBRITHVAKHO-XCVCLJGOSA-N	302.171	3.927	30	50	DHEA	
C=CCN(Cc1ccco1)Cc1c(Cl)nc2sccn12	67834372	OVOORERANGSBQY-UHFFFAOYSA-N	307.806	3.830	30	50	DHEA	
COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cccc(C)c1	5969758	SHFDFFMTAMKRIA-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
COc1ccc([C@@H](C)/N=C(/S)NC2CCCCC2)cc1OC	15952101	WQIFQWLLUTYTOX-GFCCVEGCSA-N	322.474	3.973	30	50	DHEA	
COc1cc(/C=N/c2ccc(Br)cc2)ccc1O	59458980	GXNQUPUKRYWERT-CXUHLZMHSA-N	306.159	3.914	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C	61946481	VGJUOWGYQZYCII-KCTPXNJMSA-N	314.469	3.674	30	50	DHEA	
N#Cc1c(Br)cccc1N1CCC(F)(F)CC1	169725828	XECIIGAUBQTWKT-UHFFFAOYSA-N	301.134	3.556	30	50	DHEA	
CCN(C(=O)c1ccc(F)c(C#N)c1)[C@H](C)c1ccc(C#N)cc1	170617677	LKBZWVFWTCEXKO-CYBMUJFWSA-N	321.355	3.792	30	50	DHEA	
CC1(C)OB(c2ccc(NC3CCCCC3)cc2)OC1(C)C	216711474	VIXSWZLRMUSPFT-UHFFFAOYSA-N	301.239	3.730	30	50	DHEA	
CC1(C#N)CCN(Cc2cccc(C(F)(F)F)c2F)CC1	826679753	WBVUYVWYTDUUKS-UHFFFAOYSA-N	300.299	3.970	30	50	DHEA	
C[C@@H]1CCCN(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1	1875264935	PXUXRAQECKUANE-NXHRZFHOSA-N	311.429	3.610	30	50	DHEA	
Cc1nc(CNc2cc(C#N)cc(-c3ccncc3)c2)n(C)c1C	2325859060	MLBIBKVKSSQNIM-UHFFFAOYSA-N	317.396	3.583	30	50	DHEA	
C=CCSc1nc(-c2ccc(OC)c(OC)c2)ccc1C#N	6697756	AZQTYUBFZCGQCT-UHFFFAOYSA-N	312.394	3.916	30	50	DHEA	
C=CCn1ncc(-c2cc(-c3ccsc3)nc(N)c2C#N)c1C	67432602	FTTTWUMBSJEZND-UHFFFAOYSA-N	321.409	3.622	30	50	DHEA	
OC1=N[C@@H](/C(O)=N/Cc2nc3ccc(Cl)cc3[nH]2)CCCC1	328598503	MIRZZJNEWOQARI-LLVKDONJSA-N	320.780	3.572	30	50	DHEA	
C[C@H](NCc1ncc(Br)s1)c1ccc(C#N)cc1	330032047	HKVZILQZAXMOQV-VIFPVBQESA-N	322.231	3.628	30	50	DHEA	
N#Cc1ccc2c(c1)CC[C@H]2NCc1cnccc1C(F)(F)F	1875284870	RNWWZFDLBJBLCN-MRXNPFEDSA-N	317.314	3.749	30	50	DHEA	
C=CCN1C(=O)/C(=C/c2c(C)[nH]c3ccccc23)SC1=S	1159750	JODLXNDGOIWGTB-ZROIWOOFSA-N	314.435	3.864	30	50	DHEA	
CCOc1nc(C#N)nc(N(c2ccccc2)c2ccccc2)n1	1421005	CRAQCPGLLQOHNW-UHFFFAOYSA-N	317.352	3.612	30	50	DHEA	
Cc1cc(C)nc(/N=C(\N)Nc2ccccc2-c2ccccc2)n1	13154051	XJLAUUGAEXMSTE-UHFFFAOYSA-N	317.396	3.819	30	50	DHEA	
CC1(C)OB(c2ccc(Oc3ccc(C#N)cc3)cc2)OC1(C)C	197449586	RVVROWDMHKBZPX-UHFFFAOYSA-N	321.185	3.650	30	50	DHEA	
N#CC1(c2nc(-c3ccccc3-n3cccn3)no2)CCCCC1	273957875	VOVUDGBFMSKPBN-UHFFFAOYSA-N	319.368	3.648	30	50	DHEA	
N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cc[nH]n2)cc1	755221469	YYLOWSNHUSITFS-MRXNPFEDSA-N	317.352	3.709	30	50	DHEA	
O=C1CCCC2=C1C(C#Cc1ccccc1)C1=C(CCCC1=O)O2	55465	SFULQBFKIRZAFC-UHFFFAOYSA-N	318.372	3.699	30	50	DHEA	
C=CCn1c(NCc2ccc(OC)c(OC)c2)nc2ccccc21	447253	HAKWMIGCQDRCLJ-UHFFFAOYSA-N	323.396	3.852	30	50	DHEA	
C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21	572545	GIWZLJHFMIZPCE-UHFFFAOYSA-N	324.380	3.915	30	50	DHEA	
CCOC(=O)c1c(C)nc(S)c(C#N)c1/C=C/c1ccccc1	951723499	WCOPABUJKXNJNF-MDZDMXLPSA-N	324.405	3.898	30	50	DHEA	
Oc1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)c(O)c1	235711	FZAYTWWVJWFDJS-CIAFOILYSA-N	314.344	3.950	30	50	DHEA	
Cc1nn2c(-c3ccccc3)c(C#N)nnc2c1-c1ccccc1	5678011	FMJGIGNAOCYMDH-UHFFFAOYSA-N	311.348	3.638	30	50	DHEA	
CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO	32840883	DCBSHORRWZKAKO-INIZCTEOSA-N	302.455	3.584	30	50	DHEA	endogenous,in-man
C=CCN(Cc1ccccc1OCC)C(=O)Cc1ccsc1	65455296	QLFFMQNBBXJDIL-UHFFFAOYSA-N	315.438	3.904	30	50	DHEA	
C=C(C)CN1CCC(NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1	170621958	FFNXZBDWQWGOMU-IAGOWNOFSA-N	320.521	3.996	30	50	DHEA	
N#Cc1ccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)cc1	1857694567	RWZPVPZFGPNDQK-RBUKOAKNSA-N	320.440	3.686	30	50	DHEA	
Cc1ccc(C[C@@H]2CCN2c2nnc(C3CC3)cc2C#N)c(C)c1	2325824483	CJHZYCVXTUYDCH-SFHVURJKSA-N	318.424	3.664	30	50	DHEA	
C#CCCC1(CCC(=O)N(C)Cc2cccc3cccnc23)N=N1	2325894102	ZBUDVOSYLQJNDB-UHFFFAOYSA-N	320.396	3.549	30	50	DHEA	
N#Cc1cc2c(nc1SCc1ccc([N+](=O)[O-])cc1)CCC2	69817	HTOBICDXDJBZHW-UHFFFAOYSA-N	311.366	3.642	30	50	DHEA	
CCN(CC)c1ccc(C=C2C(=O)c3ccccc3C2=O)c(O)c1	195241	NYALYXCMTVLMOD-UHFFFAOYSA-N	321.376	3.701	30	50	DHEA	
C=C(C)Cn1c(=S)[nH]c2c(c1=O)C(C)(C)Cc1ccccc1-2	1298838	UPSQVWNFHDQXQQ-UHFFFAOYSA-N	312.438	3.983	30	50	DHEA	
C=CCN(Cc1cccc(OC)c1)C(=O)[C@@H](CC)n1cccc1	55343193	BJZAFFNTGVMJHA-GOSISDBHSA-N	312.413	3.663	30	50	DHEA	
Cc1cc(-c2cc([C@@H]3CCOC3)c(C#N)c(N)n2)ccc1Cl	71759542	BMDFTASXYVOQCU-GFCCVEGCSA-N	313.788	3.668	30	50	DHEA	
CC(C)c1noc([C@H](/N=C(/O)C2=CCCC2)C2CCOCC2)n1	328612382	ONSOYCDGHLLOGY-CQSZACIVSA-N	319.405	3.728	30	50	DHEA	
CSc1ccc(C(N)=NC(=O)c2ccc(Cl)cc2)cc1	824932982	CEYNDCJUZHXROE-UHFFFAOYSA-N	304.802	3.608	30	50	DHEA	
CSc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1	4488885	DXIGNFGLBISUKP-ZDUSSCGKSA-N	315.438	3.655	30	50	DHEA	
COC(=O)C1=CC(=O)[C@@]2(C)CCc3c(ccc4ccccc34)[C@@H]12	4532770	TVQYYCZBEKLJIM-AZUAARDMSA-N	306.361	3.558	30	50	DHEA	
CC1CN(CC2(C#N)CC2)c2ccccc2N(CC2(C#N)CC2)C1	408513810	LZBHEQNZOPONDQ-UHFFFAOYSA-N	320.440	3.557	30	50	DHEA	
c1ccc2c(c1)C(=N/N=C1\CCCc3n[nH]cc31)c1ccccc1-2	1875252865	OMEFGKJTZGGDMY-FCDQGJHFSA-N	312.376	3.968	30	50	DHEA	
CCN1C(=O)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1F	1384119	NDZFXJRVGPALFC-KRWDZBQOSA-N	322.339	3.520	30	50	DHEA	
C=CCN(C1CCCC1)[C@@H](C(=O)O)c1cc(C)ccc1OC	55327819	YPZWNXWCPCNAFD-QGZVFWFLSA-N	303.402	3.560	30	50	DHEA	
C/C(=N\N=C(/C)C1C(=O)c2ccccc2C1=O)c1ccccc1	101157042	VCANCIPEWKBMMI-ZIOPAAQOSA-N	304.349	3.567	30	50	DHEA	
C#CCCCC(=O)N1CC[C@@H](Cc2ccc(C(F)F)cc2)C1	365403586	GOILHHCQEBYQPN-HNNXBMFYSA-N	305.368	3.819	30	50	DHEA	
N#Cc1ccc(C(=O)Nc2cccc(Br)c2)c(F)c1	4839868	QRDCKLOLKYOFNM-UHFFFAOYSA-N	319.133	3.712	30	50	DHEA	
C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C(C)C	12381833	MNIREQCBPKTALU-UHFFFAOYSA-N	319.792	3.561	30	50	DHEA	
COc1ccc(-c2cc(C(F)(F)F)nc(S)c2C#N)cc1	18217679	UGPSHTSXPRYIGN-UHFFFAOYSA-N	310.300	3.936	30	50	DHEA	
COc1ccc(-c2nc(-c3ccccn3)nc(Cl)c2C#N)cc1	12336318	FICABWQVBPUWMT-UHFFFAOYSA-N	322.755	3.739	30	50	DHEA	
CC1(C)OB(c2cccc(CNc3ccccc3)c2)OC1(C)C	169747204	FMCOCBRSLHQLQR-UHFFFAOYSA-N	309.218	3.598	30	50	DHEA	in-vitro
CN(C(=O)c1ccnc(C#N)c1)c1ccccc1-c1ccccc1	225471863	QVKCGJHTBPPYAJ-UHFFFAOYSA-N	313.360	3.897	30	50	DHEA	
OC(C[C@H]1CCOC1)=Nc1ccc2c(c1)nc1n2CCCCC1	330202249	ZAINFTXUWVPIFU-CYBMUJFWSA-N	313.401	3.777	30	50	DHEA	
O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1	1430814	OIFMTEDSWBQDSJ-VIFPVBQESA-N	310.180	3.604	30	50	DHEA	
C=CCc1ccc(OCCOc2ccc(C=O)cc2)c(OC)c1	2983611	DBFMYLACZTUESM-UHFFFAOYSA-N	312.365	3.694	30	50	DHEA	
O=[N+]([O-])c1ccc(/C=N/Sc2ccc([N+](=O)[O-])cc2)cc1	104265184	UTJXDDPOZFXRIB-NTEUORMPSA-N	303.299	3.629	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C	257345606	CKAXZOYFIHQCBN-UCUCSMLPSA-N	316.485	3.754	30	50	DHEA	
CCCCCCCN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O	2319530	FYPCVVXZDOORMJ-OAHLLOKOSA-N	322.836	3.532	30	50	DHEA	
N#CCC[C@@](C#N)(c1ccc(F)cc1)c1cccc(F)c1C#N	3133850	WPRUZUKJLOHPQS-GOSISDBHSA-N	307.303	3.950	30	50	DHEA	
Cc1noc(C)c1C(=O)Nc1sc2c(c1C#N)CCCCC2	16602717	VRHIKGXCRMCSGL-UHFFFAOYSA-N	315.398	3.746	30	50	DHEA	
CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1c(C)cc(C)cc1C	18157492	JPBPENVUXJIGOI-UZYVYHOESA-N	320.396	3.802	30	50	DHEA	
CN/C(=N\c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1	20405184	LRFDCSNEOYNERT-UHFFFAOYSA-N	323.274	3.911	30	50	DHEA	
C=CCSc1nc2sc3c(c2c(=O)n1CC=C)CCCC3	2686745	PUFXGHRVWMKUKX-UHFFFAOYSA-N	318.467	3.801	30	50	DHEA	
C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccccc1Cl	110011696	PKHSHLYXGHOVHS-GOSISDBHSA-N	312.800	3.985	30	50	DHEA	
N#Cc1cccc(CCNCc2cc(F)cc3cccnc23)c1	341460945	NEIFAVPIKTUMAE-UHFFFAOYSA-N	305.356	3.578	30	50	DHEA	
C=CCN(Cc1ccccc1OC)Cc1ccccc1C(=O)O	55183081	AFZREZXPBXCVTK-UHFFFAOYSA-N	311.381	3.582	30	50	DHEA	
Cc1ncccc1C(=O)N(CC#Cc1ccccc1)C1CCCC1	55245423	SFVBQXPLADBPMZ-UHFFFAOYSA-N	318.420	3.827	30	50	DHEA	
Cc1ccc(C)c(N(C)C(=O)c2c(F)cc(C#N)cc2F)c1	127454424	DZTICOQNUCKZKA-UHFFFAOYSA-N	300.308	3.730	30	50	DHEA	
N#Cc1cc(F)cc(C(=O)N(CC2CC2)C2CCCCC2)c1	952872081	IZYLPCQHMCBRQY-UHFFFAOYSA-N	300.377	3.882	30	50	DHEA	
C=CCN(CC#Cc1ccccc1)Cc1ccc(NC(C)=O)cc1	55120375	HNUMDBXPYHXLIG-UHFFFAOYSA-N	318.420	3.685	30	50	DHEA	
C=CCN(CC#Cc1ccccc1)C(=O)CCc1ccccc1F	55401622	UEKNOUUQHUGMPV-UHFFFAOYSA-N	321.395	3.825	30	50	DHEA	
N#Cc1ccccc1-c1ccc(CN2CCO[C@@H]3CCCC[C@H]32)o1	216298243	GPSHTFNVTVGAML-UYAOXDASSA-N	322.408	3.962	30	50	DHEA	
Cc1ccc(N2CCN(/N=C/c3ccccc3Cl)CC2)cc1	136735	JYULTOPNWMPUNL-XSFVSMFZSA-N	313.832	3.805	30	50	DHEA	
CC(=O)[C@@H]1C(=O)c2ccccc2/C1=N\c1ccc2cccnc2c1	101405221	JAEUEFSJONCWRU-LOFJQREMSA-N	314.344	3.757	30	50	DHEA	
CC(C)(C)C(=O)N1CCCc2cc(C#C[Si](C)(C)C)cnc21	169794153	PNGGZNBXNFIFQM-UHFFFAOYSA-N	314.505	3.636	30	50	DHEA	in-vitro
COc1cc(CCO)ccc1N=C(O)c1cc(C)sc1C	328591296	PZOUJWIWZQPKCR-UHFFFAOYSA-N	305.399	3.545	30	50	DHEA	
N#Cc1ccc(F)c(C(=O)NCC[C@@H]2CCc3ccccc32)c1	854688350	RCSTYRSYLDSGBF-HNNXBMFYSA-N	308.356	3.547	30	50	DHEA	
COc1ccc(Cl)cc1C(=O)Nc1ccc(CC#N)cc1	37215	BATMYHXWJZEJLP-UHFFFAOYSA-N	300.745	3.667	30	50	DHEA	
C[C@@H](C#N)Oc1ccc(/C=C2/COc3ccccc3C2=O)cc1	171114276	ZLBKHLBNJSDUPU-OJNRTJSBSA-N	305.333	3.636	30	50	DHEA	
Cc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1/C(O)=N/Cc1cccnc1	328605961	PWNPQQYFDADMOF-PXNSSMCTSA-N	322.408	3.895	30	50	DHEA	
COc1cc(/C=C/C(=O)c2cc(Cl)c(C)cc2O)ccc1O	4252507	MTKHYRMIDJBODD-HWKANZROSA-N	318.756	3.964	30	50	DHEA	
CCN1CCN(/C(S)=N/c2ccc(Cl)c(Cl)c2)CC1	8683622	GNCXAVSTKVWZCH-UHFFFAOYSA-N	318.273	3.548	30	50	DHEA	
C=C(C)COc1ccccc1CN(Cc1nccn1C)C1CC1	55252600	JLMPNVPXBLURTR-UHFFFAOYSA-N	311.429	3.540	30	50	DHEA	
N#Cc1ccnc(SC[C@@H](O)c2ccc(F)cc2Cl)c1	184962542	ZDNUUGVZVZUHOF-CYBMUJFWSA-N	308.765	3.571	30	50	DHEA	
C=C[C@@H]1OC[C@@]2(COC(=O)NCCCC)[C@H](C)C=C(C)[C@H]1[C@H]2C	252694590	MYEOCWYJLVOICZ-QLCXLMDBSA-N	321.461	3.932	30	50	DHEA	biogenic
CC(C)N(C(=O)c1ccccc1-c1cc(C#N)n(C)c1)C(C)C	426427983	LQQFMGKWQYQGEF-UHFFFAOYSA-N	309.413	3.823	30	50	DHEA	
C=C(C)Cn1c(-c2ccc(Br)cc2)n[nH]c1=S	5685825	RJTOIWUKIUGUPL-UHFFFAOYSA-N	310.220	3.946	30	50	DHEA	
C=C(C)COc1ccc(C(=O)N[C@@H](C)c2cc(CC)no2)cc1	55165766	FRBHCESFIKKHPN-ZDUSSCGKSA-N	314.385	3.683	30	50	DHEA	
Cc1c([C@H](C)/N=C(/O)N2C[C@@H]3CC[C@H](C2)O3)oc2ccccc12	329623764	AEMVBUFDWNUTPE-MELADBBJSA-N	314.385	3.579	30	50	DHEA	
COc1cccc(N/C=C/C(=O)c2ccc(OC)c(OC)c2)c1	302659	ZQVVZISHRWSBEP-MDZDMXLPSA-N	313.353	3.521	30	50	DHEA	
CC1=C/C(=N\OC(=O)c2cccc(Cl)c2)C(C(C)C)=CC1=O	12377453	WBMCXXHNHFNYEQ-XDJHFCHBSA-N	317.772	3.964	30	50	DHEA	
CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@H]4[C@@H]3CC[C@]12C	253624347	OGUASZAAVFYYIL-BGSOWLKRSA-N	314.425	3.836	30	50	DHEA	in-vitro
CCCC[C@@H]1CN(C(=O)c2cccc(C#N)c2)C[C@H](C(C)C)O1	1857712717	NQDYSYKFBDPHJM-QZTJIDSGSA-N	314.429	3.614	30	50	DHEA	
C/C(=N\O)c1c(OCc2ccccc2)ccc2c(C)cc(=O)oc12	485602	XQSFXTUFJWPODB-DEDYPNTBSA-N	323.348	3.879	30	50	DHEA	biogenic
CCn1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O	4842184	BQRYLDBWGFGSIV-UHFFFAOYSA-N	321.405	3.580	30	50	DHEA	
CC(C)CN(CC#Cc1ccccc1)C(=O)c1ccccc1C#N	55414229	XBCKOMUUQPZCCP-UHFFFAOYSA-N	316.404	3.708	30	50	DHEA	
C=CCC1(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)CCC1	191111338	DMXPPXYXEXHJTB-INIZCTEOSA-N	321.367	3.611	30	50	DHEA	
N#Cc1ccc(F)c(CN2CCC[C@](O)(c3ccccc3)CC2)c1	225674982	HPGZWSOHYIBOER-HXUWFJFHSA-N	324.399	3.571	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C#N)cc2)cc1	1875329221	KVCMNSIFQMRJPI-LJQANCHMSA-N	300.361	3.517	30	50	DHEA	
N#Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1	562836	RCJYZOZTICTTKQ-UHFFFAOYSA-N	302.786	3.942	30	50	DHEA	
O=[N+]([O-])c1ccc(N/C(S)=N\CCc2ccccc2)cc1	8683149	PJOLZDYSBDFJSY-UHFFFAOYSA-N	301.371	3.535	30	50	DHEA	
C/C(Cc1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	16969420	TXNQXQPITAEAQK-LFIBNONCSA-N	314.301	3.534	30	50	DHEA	
COc1ccc([C@@H]2Nc3ncccc3NC3=C2C(=O)CCC3)cc1	18244354	NPSUQKZMFXCDRE-SFHVURJKSA-N	321.380	3.676	30	50	DHEA	
C=CCc1cc(Cl)ccc1OCCCN1C[C@@H](C)O[C@H](C)C1	20167625	UALLEIYZPNUKFS-HUUCEWRRSA-N	323.864	3.947	30	50	DHEA	
C=CC[C@]1(S(=O)(=O)c2ccccc2)CC2CCC1(OC)CC2	45028064	FGAPQZNTELYOAN-VJFUWPCTSA-N	320.454	3.754	30	50	DHEA	
C[C@@]12CC[C@@H]3C[C@]1(C#N)N(C(=O)c1ccc(Cl)cc1)C[C@]32C	239310122	IDUCJJJYTROYRN-NKGKWGDASA-N	314.816	3.884	30	50	DHEA	
COC(=O)C[C@H](C)c1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1	239782387	COBZNLQEEPPFOA-JJRVBVJISA-N	300.402	3.847	30	50	DHEA	
CC(C)[C@H]1C=CCN1C(=O)CC1=C(c2ccccc2)CCC1=O	1506417704	BHQQYTOZPVYNNH-GOSISDBHSA-N	309.409	3.616	30	50	DHEA	
CO/N=C\c1ccc(Sc2cccc(OC)c2)c([N+](=O)[O-])c1	5746046	VNXSAFCTIHSBKO-YBEGLDIGSA-N	318.354	3.735	30	50	DHEA	
CC1(C)OB(c2cc(Cl)c(Cl)cc2Cl)OC1(C)C	211234841	WIBZNSKYKWUKKM-UHFFFAOYSA-N	307.413	3.946	30	50	DHEA	in-vitro
CC(C)[C@H](c1ccccc1)N(C(=O)CSCC#N)C(C)C	863947416	IHJCTFOJBSXZHX-QGZVFWFLSA-N	304.459	3.877	30	50	DHEA	
CN1C(=C2C(=N)N(c3ccccc3)CC2=O)Sc2ccccc21	1857744147	SOGMGSMTCJZNAH-UHFFFAOYSA-N	321.405	3.507	30	50	DHEA	
CC(C)(C)c1ncc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cn1	408516428	WJSDIBYSDWMJSZ-BQYQJAHWSA-N	311.341	3.578	30	50	DHEA	
C[C@H]1c2cc(Cl)cc(Cl)c2CCN1c1cncc(C#N)n1	420606423	XWLMTGJSJOLPDN-VIFPVBQESA-N	319.195	3.779	30	50	DHEA	
N#Cc1ccc(N[C@@H]2Cc3cccc(O)c3C2)cc1C(F)(F)F	428669669	QJTPGJUGHDBBLJ-CYBMUJFWSA-N	318.298	3.862	30	50	DHEA	
N#C[C@H](c1ccc(Cl)nn1)c1ccccc1Br	168546	ONAWCCQCISRDPI-VIFPVBQESA-N	308.566	3.548	30	50	DHEA	
O=C(/C=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1	35339324	IULUHKWHSAQWFE-XVNBXDOJSA-N	303.701	3.850	30	50	DHEA	
C=CCN(Cc1cccnc1)C(=O)[C@]12CC[C@H](C1)C(C)(C)C2=C	71294182	NRAAITDJTSBTIB-YLJYHZDGSA-N	310.441	3.979	30	50	DHEA	
O/N=C(C(=N\O)\c1ccc(Br)cc1)/c1ccccc1	107453877	JJIYQQCMFPTRDH-FEUFJANWSA-N	319.158	3.506	30	50	DHEA	
C#CCCC1(CCC(=O)N2CC3(CCC3)c3ccccc32)N=N1	952879573	FPNKGTSIALWDIF-UHFFFAOYSA-N	307.397	3.811	30	50	DHEA	
Cc1nn(C)c(C)c1/C=C\C(=O)c1ccc(OC(F)F)cc1	6920990	URLXDSZFCGPIRI-HJWRWDBZSA-N	306.312	3.534	30	50	DHEA	
CC(C)(C)OC(=O)N1CCC([C@@H](C#N)c2ccccc2)CC1	261233630	QWIOHAKEHDFJLM-INIZCTEOSA-N	300.402	3.941	30	50	DHEA	
Cc1nc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(C#N)c2)cs1	275048844	SFKHVSZBFJDLKK-HNNXBMFYSA-N	314.370	3.573	30	50	DHEA	
CC(C)[C@@H](C(=O)Nc1cnc2c(c1)CCC2)c1ccc(C#N)cc1	1875329031	ZUFIMEBCIMTSFT-LJQANCHMSA-N	319.408	3.820	30	50	DHEA	
C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1	615651	WQLBCYJPQHTOHU-KRWDZBQOSA-N	317.344	3.524	30	50	DHEA	
COc1ccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)cc1	5981735	HAWRVXMORAWIOC-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
C=CCn1c(S)nnc1CCCOc1ccc(Cl)cc1C	19737332	PYMZETVFYHQEEW-UHFFFAOYSA-N	323.849	3.726	30	50	DHEA	
CCCC1=NOC(=O)/C1=C\C=C\C=C\c1c(CCC)noc1O	25726906	CPHARWHMAGUXDW-PQWGHOHWSA-N	316.357	3.541	30	50	DHEA	
C=C(C)COc1cccc(CN(CC)Cc2nnc(CC)o2)c1	55254236	ABYLRSBKCZWMBG-UHFFFAOYSA-N	315.417	3.609	30	50	DHEA	
CCOc1cc(CN2CCCC2)ccc1Oc1ccc(C#N)cn1	67855843	FEVZWUPXNHJAJD-UHFFFAOYSA-N	323.396	3.740	30	50	DHEA	
Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C#N)c1	2622263	XFZWOUPFRVMYHS-UHFFFAOYSA-N	303.321	3.774	30	50	DHEA	
N/C(Cc1cccc2ccccc12)=N\OC(=O)Cc1cccs1	4845544	OZBCVFUFGQKHMU-UHFFFAOYSA-N	324.405	3.502	30	50	DHEA	
Cc1cc(N/N=C/c2ccccc2)nc(-c2ccccc2O)n1	13130856	XMUSWTOMQQMHNO-XDHOZWIPSA-N	304.353	3.604	30	50	DHEA	
CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(O)cc2F)CC1	183910228	SPYQSVXYAYAIOS-UHFFFAOYSA-N	318.392	3.760	30	50	DHEA	
Cc1ccc([C@@H]2C[C@@H]2C(=O)[C@H](C#N)C(=O)c2ccccc2)s1	247824067	IDJNJEROSUXVJU-QLFBSQMISA-N	309.390	3.752	30	50	DHEA	
CC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1CCCCCCCC(=O)O	299817246	OXXJZDJLYSMGIQ-IQDGFBTQSA-N	308.418	3.500	30	50	DHEA	in-vitro
C=CCC(O)(CC=C)CNC(=O)c1oc2ccc(C)cc2c1C	14956052	MPQYTFLFMQWJLC-UHFFFAOYSA-N	313.397	3.663	30	50	DHEA	
CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccs1	15108083	IOFONJBNPOLGNI-INIZCTEOSA-N	309.394	3.976	30	50	DHEA	
COc1cc(C#N)ccc1CN[C@H](C)c1ccc(F)cc1F	181583762	SGLQPGXFUZELKP-LLVKDONJSA-N	302.324	3.696	30	50	DHEA	
CSc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1	136459	FEUJFHLHUSWSKD-XDJHFCHBSA-N	311.454	3.565	30	50	DHEA	
C/N=C1/c2cc3cc(OC)ccc3n2CCN1Cc1ccccc1	13110772	OUERQWUIBCAUMO-MRCUWXFGSA-N	319.408	3.542	30	50	DHEA	
C=CCc1cc(CN[C@@H](CC)c2ccnn2C)ccc1OCC	55182727	PXRLZPKTVJZLFF-KRWDZBQOSA-N	313.445	3.788	30	50	DHEA	
Cc1cc(NC(=O)c2c[nH]c(C#N)c2)ccc1Oc1ccncc1	192587268	YUNJHZXBDMPRGQ-UHFFFAOYSA-N	318.336	3.634	30	50	DHEA	
C=C(C)COc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1	6747469	UPPVNKKUMAHNEP-UHFFFAOYSA-N	324.380	3.852	30	50	DHEA	
COc1ccc(CC/N=C(/S)Nc2cccc(C)c2)cc1	13468605	YGKWIXMIKUFAOJ-UHFFFAOYSA-N	300.427	3.944	30	50	DHEA	
CC(NCc1ccccc1Cl)=C1C(=O)c2ccccc2C1=O	100428724	RXCCQQSEZHIBGT-UHFFFAOYSA-N	311.768	3.783	30	50	DHEA	
O=C1/C(=C/c2ccc(O)c(Br)c2)Oc2ccccc21	299738264	OYTJUFVFFWZLPX-ZSOIEALJSA-N	317.138	3.771	30	50	DHEA	
COc1cc(/C=C2\Oc3ccccc3C2=O)cc(Cl)c1O	299738304	SMGCVPFGBBONJZ-ZSOIEALJSA-N	302.713	3.670	30	50	DHEA	
Cn1c([C@@H]2CCCN2c2ccc(C#N)cc2)nc2c1CCCC2	275787635	YYOXCUIITCJBPG-SFHVURJKSA-N	306.413	3.512	30	50	DHEA	
N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccccc1	193766	VLACAXLSXHOPOU-UHFFFAOYSA-N	320.308	3.734	30	50	DHEA	
CCc1ccc(C(=O)C[n+]2cccc3cc(OC)ccc32)cc1	2810094	LYBXSZBDAVDYPG-UHFFFAOYSA-N	306.385	3.581	30	50	DHEA	
C#CCOc1ccc(CN[C@@H](C)c2sc(C)nc2C)cc1	113325935	UNMGMMNKPZHJST-LBPRGKRZSA-N	300.427	3.623	30	50	DHEA	
Cc1ccc(C#N)c(NC2CCN([C@@H](C)c3ccccc3)CC2)n1	161467261	SSXPTIRKDIJONI-INIZCTEOSA-N	320.440	3.899	30	50	DHEA	
C=C/C(O)=N/CC1(C(=O)Nc2ccc(C)c(C)c2)CCCC1	328597097	DJLWTSNGDILYLU-UHFFFAOYSA-N	300.402	3.945	30	50	DHEA	
CCOc1ccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)cc1	136705	VEUMUGUMYPCBHD-LTGZKZEYSA-N	323.440	3.550	30	50	DHEA	
C=CCSc1nnc(-c2ccccc2O)n1-c1ccccc1	12343946	HWVSESSVCJPLRC-UHFFFAOYSA-N	309.394	3.918	30	50	DHEA	
N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)c1ccccc1	13523282	LTXMDDCEQNYGJK-UHFFFAOYSA-N	323.179	3.665	30	50	DHEA	
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCC(CCN(C)C)CC1)C2	200536142	RTODZFKPMDVZRD-FXAWDEMLSA-N	318.505	3.559	30	50	DHEA	
Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C#N)c3N2)s1	2766578	BTVYRQUGPDQKAD-KOLCDFICSA-N	312.320	3.785	30	50	DHEA	
OC(=Nc1cccc(Oc2ccccn2)c1)N1C[C@H]2CCC[C@H]21	329917670	FNRVIGGSZVRLBB-CZUORRHYSA-N	309.369	3.904	30	50	DHEA	
N#Cc1nc([C@H]2C[C@H]2c2cccc(F)c2)oc1N1CCCCC1	1775976221	PJPDJZRBAOYJGR-GJZGRUSLSA-N	311.360	3.947	30	50	DHEA	
C#CCOc1ccccc1CNCCc1cccc2cc[nH]c12	2325737592	IFUOUSARPZECSU-UHFFFAOYSA-N	304.393	3.512	30	50	DHEA	
N#Cc1c[nH]c2cc(C(=O)N3CC[C@@H](c4ccccc4)C3)ccc12	1136432100	DBJHSFFPFHRVBY-MRXNPFEDSA-N	315.376	3.669	30	50	DHEA	
CC1(C)OB(c2ccc(CCc3ccccc3)cc2)OC1(C)C	1980988584	WZMKQMIYIXCRIQ-UHFFFAOYSA-N	308.230	3.771	30	50	DHEA	
Cc1ccc[n+](CC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1	2566983	AGSGMDAJFUYDAC-UHFFFAOYSA-N	300.381	3.737	30	50	DHEA	
C=Cc1cccc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)c1	67843021	HPGHNNHTARGOQB-UHFFFAOYSA-N	300.365	3.851	30	50	DHEA	
O[C@@H](c1ccccc1)[C@@](O)(C#Cc1ccccc1)c1ccccc1	169670283	PWSFEASFEOWDMU-FCHUYYIVSA-N	314.384	3.660	30	50	DHEA	
COc1ccc(/C=C2\CCc3ccc(OC)cc3C2=O)c(OC)c1	480560	PWVQHPOQUMQHEW-XNTDXEJSSA-N	324.376	3.925	30	50	DHEA	
Cc1ccc(N2CCN(/N=C\c3ccccc3Cl)CC2)cc1	4600418	JYULTOPNWMPUNL-ZHZULCJRSA-N	313.832	3.805	30	50	DHEA	
CC1(C)OB(CC(=O)c2ccc(N3CCCC3)cc2)OC1(C)C	170006256	CFDLREVDYAOLCG-UHFFFAOYSA-N	315.222	3.562	30	50	DHEA	
CC(C)C[N@@]1C[C@H]1COc1ccc(-c2ccc(C#N)cc2)cc1	1875385608	XISVYCWPFHUIAU-UGKGYDQZSA-N	306.409	3.944	30	50	DHEA	
CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccccc1Cl	100298881	QSGOQNTULYSTTD-XDJHFCHBSA-N	312.760	3.531	30	50	DHEA	
C=CCc1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1	185771	QKSWXZNHYLNOHS-UHFFFAOYSA-N	312.365	3.789	30	50	DHEA	biogenic
CN(C)c1ccc(/C=N/Nc2cc(Cl)ccc2[N+](=O)[O-])cc1	4358861	UQEJLCHQJGQPQW-LICLKQGHSA-N	318.764	3.760	30	50	DHEA	
O=C1CS/C(=N/N=C/c2c3ccccc3cc3ccccc23)N1	5650276	RWPJPJKLGWNXJH-VXLYETTFSA-N	319.389	3.546	30	50	DHEA	
C=CCCC(=O)N1CCC[C@@H](CCc2cccc(OC)c2)C1	12195211	VUTHUCCIUKQEHP-KRWDZBQOSA-N	301.430	3.833	30	50	DHEA	
C(=N/Nc1nc(-c2ccccc2)cs1)\c1ccc2c(c1)OCO2	17192213	GLSOCYVLFIABDC-GIJQJNRQSA-N	323.377	3.985	30	50	DHEA	
C#CCN(CC=C)C(=O)c1ccc(CSc2ccccn2)cc1	55226068	HPYCSJGIRRVPFM-UHFFFAOYSA-N	322.433	3.635	30	50	DHEA	
N#C[C@@H]1CC[C@@H](N2CC(Cc3cccc(Br)c3)C2)C1	888095901	DXBSMSXNZWGCBY-CZUORRHYSA-N	319.246	3.616	30	50	DHEA	
C=CCOc1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1	4841339	GIAOAYCITAIQRM-UHFFFAOYSA-N	313.353	3.521	30	50	DHEA	
Cc1cc(C)cc(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)c1	71749211	VGWFSLCRLCZRMF-UHFFFAOYSA-N	319.364	3.572	30	50	DHEA	
N#C[C@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2F)C1	95517971	JDINXKRBULHBQX-SECBINFHSA-N	315.270	3.612	30	50	DHEA	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cscc1C#N	340558383	QUFPIJQIFSYGDT-WCQYABFASA-N	314.385	3.777	30	50	DHEA	
C#CCCC1(CCC(=O)N2CCC[C@H]2Cc2ccccc2)N=N1	952881519	NGQWVKZKMWDQSH-KRWDZBQOSA-N	309.413	3.576	30	50	DHEA	
C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]32)C/C1=N\N	1857525069	WYIOTJMJDQSAEQ-JBEZSMMGSA-N	318.505	3.951	30	50	DHEA	
C=CCc1ccc(OCCCNCc2ccco2)c(OC)c1	3003074	WVSZYNMPWPUDBT-UHFFFAOYSA-N	301.386	3.575	30	50	DHEA	
COc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	4582560	VPAWFBROEHJSGP-OQFOIZHKSA-N	313.309	3.508	30	50	DHEA	
CC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1	4677469	NJMBVVVLSJLFOA-GOSISDBHSA-N	309.409	3.880	30	50	DHEA	
CC(C)(C)c1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1	5831577	XRVQYYVEBAKVRG-CJLVFECKSA-N	322.456	3.535	30	50	DHEA	
C=CCc1ccccc1OC[C@@H](O)Cn1c(C)nc2ccccc21	318736	SELFMZFUAAIBEZ-KRWDZBQOSA-N	322.408	3.513	30	50	DHEA	
O=C1C(=CNc2cccc3cccnc23)C(=O)c2ccccc21	2534738	MGQUHTOYLNEAOR-UHFFFAOYSA-N	300.317	3.610	30	50	DHEA	
C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)C(C)(C)C	4943840	PMLPPYXUWOWWCF-UHFFFAOYSA-N	313.401	3.606	30	50	DHEA	
C=CCc1ccccc1OCc1nnc(S)n1-c1ccccc1	5816991	ZQXVSCXMEDECKG-UHFFFAOYSA-N	323.421	3.864	30	50	DHEA	
COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(C)cc1	5968174	TZEVOYZRGQIVGA-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
C=CCCS(=O)(=O)Oc1ccc(Sc2ccncc2)cc1	120132745	QEPKJAUDZGVMDF-UHFFFAOYSA-N	321.423	3.518	30	50	DHEA	
Sc1nnc(-c2ccc(Cl)cc2)n1N=Cc1ccccc1	252429448	QMEAJRWAEVGIKA-UHFFFAOYSA-N	314.801	3.769	30	50	DHEA	
Cn1cc(Cl)c(C(=O)/C=C/c2ccccc2OC(F)F)n1	6827996	JOZADWKSARDVIL-VOTSOKGWSA-N	312.703	3.571	30	50	DHEA	
Cc1ccc2[nH]c3nc(N/N=C/C=C/c4ccco4)nnc3c2c1	6862609	XAAOHIZGIKSWHV-ZBXLFGCISA-N	318.340	3.519	30	50	DHEA	
OC1=N[C@@H](/C(O)=N/[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1	329098592	CVJYYSTXWUYWMI-MVWJERBFSA-N	312.291	3.637	30	50	DHEA	
C=CCNC(=O)[C@H]1CC1(c1cccc(C)c1)c1cccc(C)c1	2188558	ODKBHDUQLBKDTK-LJQANCHMSA-N	305.421	3.912	30	50	DHEA	
CCN(CC)Cc1ccc(C(=O)Nc2cccc(C)c2C#N)cc1	65373065	SJHZHSTXOQJKAC-UHFFFAOYSA-N	321.424	3.961	30	50	DHEA	
CCn1cc(CN(C)[C@@H](C)c2nc(C)sc2C)cc1C#N	72148191	ARWWNQQGWQZWJT-NSHDSACASA-N	302.447	3.646	30	50	DHEA	
O=C1/C(=C2\NN=C(c3ccccc3)S2)Sc2ccccc21	222104847	FKYYUGWZZAFUKM-PEZBUJJGSA-N	310.403	3.842	30	50	DHEA	
Cc1ccc(NC(=O)CCN[C@@H]2CCC[C@H](C#N)C2)c(Cl)c1	225576032	XNSAPTBKDGFNKV-UONOGXRCSA-N	319.836	3.649	30	50	DHEA	
CCCC[C@@](C)(O)C#CCN1CCCC[C@H]1c1cccnc1	245225952	BCQGGNURBLYCHL-RBUKOAKNSA-N	300.446	3.553	30	50	DHEA	biogenic
C#CCCC1(CCC(=O)Nc2ccc3c(c2)CC[C@H]3N(C)C)N=N1	952882254	SQDMISCUJJKCNF-QGZVFWFLSA-N	324.428	3.530	30	50	DHEA	
C=Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(C#N)cc12	145814119	DRRDTIXSULOZQT-UHFFFAOYSA-N	322.389	3.701	30	50	DHEA	
Cc1ccnc(NCc2ccc(N3CCC(C)CC3)nc2)c1C#N	273379828	STEKFZSJSGDBAD-UHFFFAOYSA-N	321.428	3.505	30	50	DHEA	
CC1(C)CC(=O)C(Cl)=C(N2CCN(c3ccccc3)CC2)C1	2582105	MQCURPCZFZHOIN-UHFFFAOYSA-N	318.848	3.648	30	50	DHEA	
CCC[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C#N)C1	4750142	CNUJDWALAIXOJQ-SMDDNHRTSA-N	318.442	3.642	30	50	DHEA	
CCCN(C(=O)c1cccc(C#CC(C)(C)O)c1)C(CC)CC	19228364	NWPYWMCIGCVJCC-UHFFFAOYSA-N	315.457	3.850	30	50	DHEA	
CC(C)Oc1ccc(CC[C@H](C)/N=C(/O)N2CCCCO2)cc1	328698032	LMWYGGYCAWWUCG-HNNXBMFYSA-N	320.433	3.736	30	50	DHEA	
Cc1cc(C#N)nc(N2CC3(CCCC3)[C@@H]2c2ccccc2)n1	334053210	SRUQXMSNTOQHKT-KRWDZBQOSA-N	304.397	3.778	30	50	DHEA	
CC(C)n1ccnc1CN1CCC(C#N)(c2ccccc2)CC1	216237181	HGEDTTSDYSUPOU-UHFFFAOYSA-N	308.429	3.521	30	50	DHEA	
CC1(C)CC[C@H](C/N=C(/O)[C@@H]2C[C@]23CCOc2ccccc23)O1	328603953	HUBAWQSSYZCWNT-WTANOLMUSA-N	315.413	3.641	30	50	DHEA	
CCc1nc(N/C(O)=N/CC2CCC(C#N)CC2)sc1C	331264086	GJTCYZYQTNQEOU-UHFFFAOYSA-N	306.435	3.670	30	50	DHEA	
N#CCc1c(F)cc(F)c(Br)c1Br	263622849	BKACEIRETGGQEY-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
C=CCn1c(-c2ccc(Cl)cc2)cc(SC)c(C#N)c1=O	1388946	HAIKLSDGHXFJJA-UHFFFAOYSA-N	316.813	3.948	30	50	DHEA	
Cn1cc(CN2CCCC[C@@H]2CCc2cccs2)cc1C#N	77537968	UTPMMMGWOKKVKA-MRXNPFEDSA-N	313.470	3.946	30	50	DHEA	
CC(Nc1ccc(N(C)C)cc1)=C1C(=O)c2ccccc2C1=O	100585993	MNFGQEZPVJZIEM-UHFFFAOYSA-N	306.365	3.518	30	50	DHEA	
CN(C(=O)CCCC1CCOCC1)c1cc(Cl)ccc1C#N	253428912	LRVRBQJOTJCTNU-UHFFFAOYSA-N	320.820	3.771	30	50	DHEA	
CC(O)=Nc1ccn([C@@H]2CCN(C[C@@H]3CCCC[C@@H]3C)C2)n1	328628994	OIMFXVRWMRDMOP-CWRNSKLLSA-N	304.438	3.564	30	50	DHEA	
N#CC1(NC(=O)c2ccc([C@H]3CCCOC3)cc2)CCCCC1	329318447	DJSNKGPONYZJFF-KRWDZBQOSA-N	312.413	3.537	30	50	DHEA	
N#CC1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)CC1	104994347	ULHMFPGLGGFZFA-UHFFFAOYSA-N	313.401	3.775	30	50	DHEA	
OCC#Cc1csc(CN2CCCCC[C@H]2c2ccco2)c1	828644626	ODCUUVHOSIOWSG-KRWDZBQOSA-N	315.438	3.802	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2cccc(N3CCCCC3)c2)N=N1	952880051	BICNVQFPGBVYFS-UHFFFAOYSA-N	324.428	3.971	30	50	DHEA	
CC1(C)CCCN(C(=O)c2cc(C(F)(F)F)cs2)[C@@H]1C#N	1875369149	UHPRKWSNNHJPBS-LLVKDONJSA-N	316.348	3.921	30	50	DHEA	
C/C(Nc1cc(Cl)ccc1Cl)=C1\C(=O)CSC1=O	6192331	WHVNIZOVCCQWMT-WDZFZDKYSA-N	302.182	3.522	30	50	DHEA	
CCn1ncc(/C=C/C(=O)c2ccc(Br)cc2)c1C	6556015	CZEXHTCVUANYDZ-RMKNXTFCSA-N	319.202	3.870	30	50	DHEA	
CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1	100222916	HPIIQBIZUYHMQI-SFHVURJKSA-N	315.372	3.844	30	50	DHEA	
CC[C@@H](Cc1ccc(F)cc1)NC(=O)[C@]1(C#N)CC12CCCC2	597886633	PDCNBUWCCPNLMU-QFBILLFUSA-N	314.404	3.737	30	50	DHEA	
Oc1cccc(/C=N/n2c(C3CCCCC3)n[nH]c2=S)c1	1475369	HOMCFZHDRYHTGR-MHWRWJLKSA-N	302.403	3.576	30	50	DHEA	
CC(C)(C)c1ccc(C(=O)O/N=C(\N)Cc2cccs2)cc1	4193280	NGJYDTPFEJHJKP-UHFFFAOYSA-N	316.426	3.717	30	50	DHEA	
C=CCC1(CC=C)CCCCN1Cc1cc(C#CCO)cs1	55359876	SGFRTYDDLFTMDN-UHFFFAOYSA-N	315.482	3.969	30	50	DHEA	
N#Cc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)nc1	225558668	QSWVHDYOGKMKEN-UHFFFAOYSA-N	324.343	3.907	30	50	DHEA	
Cc1ccnc(N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C#N	273092485	BHVJQSXOWGBXQN-CYBMUJFWSA-N	320.396	3.783	30	50	DHEA	
N/C(=N\OC(=O)CCC1CCCCC1)c1ccc(Cl)cc1	4845151	GLHMNVTUAQSQOV-UHFFFAOYSA-N	308.809	3.864	30	50	DHEA	
Cc1cc(C)c2c(/N=C/c3ccccc3)c(C(N)=O)sc2n1	5337017	NWYJWMHAKMRFIV-DJKKODMXSA-N	309.394	3.763	30	50	DHEA	
OCCC/N=C(/S)Nc1ccc(Nc2ccccc2)cc1	13497370	AZWDZMXIQMGSKO-UHFFFAOYSA-N	301.415	3.510	30	50	DHEA	
N#Cc1c2c(c(N3CCCCC3)n3c1nc1ccccc13)CCC2	135256	WBXJMZDZLIIGIP-UHFFFAOYSA-N	316.408	3.838	30	50	DHEA	
COc1ccc(-c2nc(C#N)c(NCCc3ccccc3)o2)cc1	468099	XDDJZSAWXWLKSU-UHFFFAOYSA-N	319.364	3.876	30	50	DHEA	
O=C(/C=C/c1ccc(Cl)cc1)c1ccc(O)c(C(=O)O)c1	4529039	KGZKZVMDQOAQKE-XVNBXDOJSA-N	302.713	3.640	30	50	DHEA	
O=C[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1	90669452	NEUUUDUJOWNVQD-BBQAJUCSSA-N	313.400	3.862	30	50	DHEA	
FC(F)(F)C1(C(F)(F)F)O[C@](F)(Cl)[C@@](F)(Cl)O1	95810997	PQTSJAIWJYMBOX-HRFVKAFMSA-N	314.943	3.578	30	50	DHEA	in-vitro
CCCCCCCNC(=O)CCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C	239231189	VBZPLRJWPFTKCV-BRWVUGGUSA-N	324.509	3.794	30	50	DHEA	
OC(=Nc1nc2cc(F)c(F)cc2s1)[C@@H]1C[C@@]12CCOC2	329616974	FTAZUUSIYYQVHY-JKYUHCHBSA-N	310.325	3.589	30	50	DHEA	
C=C(C)CN1CCN(Cc2ccc(-c3ccc(C)cc3)o2)CC1	952961458	DIGXKFKJNAUWEN-UHFFFAOYSA-N	310.441	3.949	30	50	DHEA	
C[C@H](/N=C(/S)Nc1ccccc1)[C@@H]1COc2ccccc2O1	8691054	OFWGWRCVTONDAC-LRDDRELGSA-N	314.410	3.613	30	50	DHEA	
CN(C)c1ccc([C@@H]2CC(=O)C=C(Nc3ccccc3N)C2)cc1	18190120	BSMPRRPYVUPRQQ-HNNXBMFYSA-N	321.424	3.777	30	50	DHEA	
Cc1ccc(C[C@H](C)NC(=O)c2c(F)cc(C#N)cc2F)s1	152454514	NMDFSVRIZATWGF-VIFPVBQESA-N	320.364	3.567	30	50	DHEA	
C[C@@H]1CCCCN1c1nc(N=[N+]=[N-])nc(N2CCCC[C@H]2C)n1	245257396	ZIPHYVJFLFDDDW-VXGBXAGGSA-N	316.413	3.571	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21CC	253530025	WWYNJERNGUHSAO-NJCPFYPZSA-N	312.453	3.883	30	50	DHEA	fda
N#Cc1c(Cl)nsc1NC[C@H]1CCOc2ccccc21	264540616	HPVJCOAUTUVAFL-SECBINFHSA-N	305.790	3.646	30	50	DHEA	
C[C@@H](/N=C(/O)Nc1ncc(C(C)(C)C)s1)c1ccccn1	331258021	YSRSWNTYMMSGCJ-SNVBAGLBSA-N	304.419	3.923	30	50	DHEA	
Cc1cc[n+](CC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1	2566984	NVOYBNRQRZIKRH-UHFFFAOYSA-N	300.381	3.737	30	50	DHEA	
N=C(N/N=C/c1cccs1)SCc1ccc(F)c(F)c1	6528184	PENBXJHZNPVMKH-REZTVBANSA-N	311.382	3.818	30	50	DHEA	
C=CCC(=O)N[C@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1	15080766	XUADOJIZZSZGRO-IBGZPJMESA-N	314.473	3.542	30	50	DHEA	
Cc1cc(Br)cc(C(=O)NC2(C#N)CCCCC2)c1	124250019	QUYYIZMAWPLMJV-UHFFFAOYSA-N	321.218	3.714	30	50	DHEA	
C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cccc2ccc(OC)cc12	239433654	YGTRLBKHIZAVEL-MGTBRSBRSA-N	323.436	3.778	30	50	DHEA	
Nc1ccccc1N/C=C/C(=O)c1ccc(Br)cc1	2325809584	LUYXQXNHGBZGQP-MDZDMXLPSA-N	317.186	3.840	30	50	DHEA	
COc1cccc(/C=N\Nc2cc(C)c3ccccc3n2)c1O	32606128	HWCDADFQEWFACU-ODLFYWEKSA-N	307.353	3.703	30	50	DHEA	
C[C@@H](Nc1ncnc2cc(F)c(F)cc12)c1cccc(C#N)c1	170644286	SMZSZTRKUFYVFX-SNVBAGLBSA-N	310.307	3.953	30	50	DHEA	
CC1(C)OB(c2ccc(C(F)(F)F)cc2Cl)OC1(C)C	201196722	GASUPCHDYFQBAK-UHFFFAOYSA-N	306.520	3.658	30	50	DHEA	
Cc1nc2c(s1)CCC[C@@H]2C/N=C(/O)Cc1c(C)noc1C	328631008	QLHUGWOBWDSKNH-GFCCVEGCSA-N	319.430	3.675	30	50	DHEA	
N#Cc1cncc(N2CC3(CCCCC3)[C@@H]2c2ccccc2)n1	333718855	UFJWWEFLMMIWHA-SFHVURJKSA-N	304.397	3.860	30	50	DHEA	
O=C(O)c1ccc(N/N=C/c2ccccc2C(F)(F)F)cc1	4039325	JINUCHVCMPLQDF-DJKKODMXSA-N	308.259	3.850	30	50	DHEA	
Cc1cccc(-c2nnc(S)n2/N=C/c2ccc(C)s2)c1	5981738	DHHPDNYDLDEALB-CXUHLZMHSA-N	314.439	3.794	30	50	DHEA	
CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N[C@H]2c1ccco1	18244346	IEJPXEUAPVBZRP-INIZCTEOSA-N	309.369	3.897	30	50	DHEA	
C=CCC1(CC=C)CCCCN1Cc1cnc(NCC)nc1	55226743	QOXRMNUVZWOQOB-UHFFFAOYSA-N	300.450	3.785	30	50	DHEA	
C=CC[C@]1(CO)CCCN(CCOc2ccc(C)cc2Cl)C1	91754965	NZBZTTUGSDPSEX-SFHVURJKSA-N	323.864	3.678	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2ccnc(Cl)c2)cc1	1875386897	CXDICIWKJSFDLB-MRXNPFEDSA-N	310.784	3.694	30	50	DHEA	
COc1ccc2c(c1)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)CC2	195225	DFKKARANGCUIMA-NTEUORMPSA-N	309.321	3.816	30	50	DHEA	
N#Cc1cnn2c1N[C@H](c1ccc(Cl)cc1)C[C@@H]2C(F)F	2783499	ZQODBIGFZWPWRS-NWDGAFQWSA-N	308.719	3.771	30	50	DHEA	
O=C/C(=N\Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1	15987501	IWUYMSRTEKNUKS-KGENOOAVSA-N	320.270	3.555	30	50	DHEA	
O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1F	252489781	KAFPWIHMXXVLBK-DAFODLJHSA-N	322.273	3.600	30	50	DHEA	
N#Cc1ccccc1-c1ccc(C(=O)NCc2cnsc2)cc1	1875329477	XXYMSFCRGCYSKH-UHFFFAOYSA-N	319.389	3.612	30	50	DHEA	
CC1(C)C2=C(Cl)C(=O)C(Cl)=CC2=Nc2ccc(O)cc21	14982912	IIBCJNSFAIYYJJ-UHFFFAOYSA-N	308.164	3.954	30	50	DHEA	in-vitro
N#Cc1ccc(Oc2ccc(Br)c(C=O)c2)cc1	504454863	IEHZPKWXBVTRRG-UHFFFAOYSA-N	302.127	3.926	30	50	DHEA	in-vitro
CSc1nsc(/C=C/Nc2ccc(C(=O)O)cc2)c1C#N	2508368	RTUHRLPKTRDLJO-VOTSOKGWSA-N	317.395	3.518	30	50	DHEA	
C[C@]1(C#N)CCCN(Cc2cc(F)cc(C(F)(F)F)c2)C1	612405650	BYVCPYVRZYYOKZ-CQSZACIVSA-N	300.299	3.970	30	50	DHEA	
C=CCc1cc(OC)ccc1OCCCNCc1ccccc1	4914025	FKTWAPBWMMTFOB-UHFFFAOYSA-N	311.425	3.982	30	50	DHEA	
C#CCN(CC=C)Cc1nc(-c2ccc(F)cc2F)oc1C	14974444	JDQPEVOUSNYPOM-UHFFFAOYSA-N	302.324	3.549	30	50	DHEA	
Cc1cc(/C=C/C(=O)c2cn(C)c(C)n2)cc(C)c1OC(F)F	328589743	RLKDKNWDZSYIQY-AATRIKPKSA-N	320.339	3.843	30	50	DHEA	
Cc1cc(C)c(C#N)c(S[C@@H]2CCc3ccccc3C2=O)n1	470169	FQNCZJPIBSWHKW-MRXNPFEDSA-N	308.406	3.860	30	50	DHEA	
N#Cc1ccc(N2CCC(F)(F)CC2)cc1Br	169725791	KXUGMMQYSBGDPR-UHFFFAOYSA-N	301.134	3.556	30	50	DHEA	
N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCCCN	334163626	ZCDJPQAWPDXABQ-UHFFFAOYSA-N	303.818	3.715	30	50	DHEA	
CCCCCCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O	2321824	CXOYCADJJLMPBR-UHFFFAOYSA-N	302.374	3.533	30	50	DHEA	
Fc1ccc(/C=N/Nc2nnc(Cl)c3ccccc23)cc1	4947481	KEABDXJILILOCR-GIJQJNRQSA-N	300.724	3.868	30	50	DHEA	
CCn1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)c(C)n1	6490208	SVJADCCNKSGMFG-RMKNXTFCSA-N	306.312	3.709	30	50	DHEA	
O=[N+]([O-])c1cc(F)ccc1OC(C(F)(F)F)C(F)(F)F	169725312	BHJNGSWNKJWLIO-UHFFFAOYSA-N	307.121	3.606	30	50	DHEA	
N#Cc1csc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1	328629736	IPKSPVVNPBULGV-MRXNPFEDSA-N	312.442	3.559	30	50	DHEA	
OC(=Nc1cccc(Oc2ccccn2)c1)N1C[C@@H]2CCC[C@@H]21	329917666	FNRVIGGSZVRLBB-BBRMVZONSA-N	309.369	3.904	30	50	DHEA	
O=C([C@H]1CO1)N1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1	1875372232	ANMULFSRAHCVPZ-UONOGXRCSA-N	313.319	3.548	30	50	DHEA	
CC1([C@@](O)(C#CCN2CCCCC2)c2ccccc2)CCCC1	1000136	TZMWHPKPISYJCM-OAQYLSRUSA-N	311.469	3.944	30	50	DHEA	
C=C[C@@H](C)c1noc([C@]2(C)CCCN2C(=O)c2ccccc2)n1	225591002	HRNHSDGGSDSTPE-ACJLOTCBSA-N	311.385	3.511	30	50	DHEA	
CSc1ccc(/C=C/C(=O)c2ccc(O)c([N+](=O)[O-])c2)s1	253425457	CXXGVWRLJCMBOC-ZZXKWVIFSA-N	321.379	3.980	30	50	DHEA	
N#Cc1ccc2cc(C(=O)OCCc3cncs3)ccc2c1	2325736047	UJFQZENCUFETGE-UHFFFAOYSA-N	308.362	3.567	30	50	DHEA	
CCc1ccc([C@H]2C[C@@H](C(F)F)n3ncc(C#N)c3N2)cc1	2783792	GYMVGPYZBBRGNO-KGLIPLIRSA-N	302.328	3.680	30	50	DHEA	
COc1cc(C#N)ccc1OCc1ccc(Br)cc1	2882942	MCFHAIFWVIHQQE-UHFFFAOYSA-N	318.170	3.908	30	50	DHEA	
O=C(C[n+]1ccc(-c2cccc(Cl)c2)nc1)c1ccccc1	5735246	XEIVOPMOPDNDSH-UHFFFAOYSA-N	309.776	3.572	30	50	DHEA	
Cc1ccc(NC(=O)CSc2ncccc2C#N)cc1Cl	9295575	KAJXZJCMYNYRBV-UHFFFAOYSA-N	317.801	3.646	30	50	DHEA	
COc1cccc(C(=O)/C=C\Nc2ccc(OC)c(OC)c2)c1	15837286	UZUSDBCNTDXOAC-KTKRTIGZSA-N	313.353	3.521	30	50	DHEA	
N#Cc1cccc(-c2nccn2-c2ccc(-c3ccn[nH]3)cc2)c1	71711983	YRXDOLQYGXBRBM-UHFFFAOYSA-N	311.348	3.801	30	50	DHEA	
C=C[C@@H](C)c1noc([C@@]2(C)CCCN2C(=O)c2ccccc2)n1	225590954	HRNHSDGGSDSTPE-FZKQIMNGSA-N	311.385	3.511	30	50	DHEA	
CC(O)=Nc1ccn([C@H]2CCN([C@H](C)c3ccccc3F)C2)n1	328630663	QCQUYRDEMOXGAN-OCCSQVGLSA-N	316.380	3.638	30	50	DHEA	
CC1(C)OB([C@@H]2CCCN(C(=O)C3=CCCC3)CC2)OC1(C)C	1875370131	CMZDKKSKTXADJB-OAHLLOKOSA-N	319.254	3.572	30	50	DHEA	
Cc1ccc(-c2cc(C(=O)Oc3ccc(C#N)cc3)no2)cc1	8673969	RJAVFJNMBLMOJK-UHFFFAOYSA-N	304.305	3.741	30	50	DHEA	
Cc1ccc(C#N)c(NC[C@@]2(c3ccc(F)cc3)CCOC2)c1	20867626	VZGMHUWEICGCRS-IBGZPJMESA-N	310.372	3.776	30	50	DHEA	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118914860	VGJUOWGYQZYCII-GCOKGBOCSA-N	314.469	3.674	30	50	DHEA	
COc1ccc([C@](O)(C#Cc2ccccc2)c2ccccc2)cc1	1140257	DLFBQACLKJFDBM-QFIPXVFZSA-N	314.384	3.983	30	50	DHEA	
Oc1ccc(Cl)cc1/C=N/NC(=S)Nc1ccc(F)cc1	1698940	RVJWSHJBQITQSW-CAOOACKPSA-N	323.780	3.505	30	50	DHEA	
O=C1C[C@@H](c2ccccc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	4916126	VZJIQQCEQRDRTH-KBPBESRZSA-N	323.417	3.752	30	50	DHEA	
N#Cc1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1	6725425	JJUPECBDLWMEGX-UHFFFAOYSA-N	320.270	3.595	30	50	DHEA	
CC(=O)Nc1ccc(/N=C/c2ccc(Br)o2)cc1	12364339	UUZFXTCRBBHQJE-OVCLIPMQSA-N	307.147	3.751	30	50	DHEA	
CCc1ccc(/N=C(/N=C(/C)O)Nc2nc(C)cc(C)n2)cc1	18097872	YIPJYZKDRANZSX-UHFFFAOYSA-N	311.389	3.732	30	50	DHEA	
Cc1cc(C)c(NC(=O)CCN2CCC[C@H](C#N)C2)c(Cl)c1	244763836	OWHFWCQZLPFFKG-CQSZACIVSA-N	319.836	3.521	30	50	DHEA	
CC1(C)OB(c2cccc([C@@H](F)C(F)(F)F)c2)OC1(C)C	757123857	ULESUEFSZRWMMQ-LLVKDONJSA-N	304.092	3.559	30	50	DHEA	
CCC(Nc1ccccc1OC)=C1C(=O)CC(C)(C)CC1=O	294462	MSXFZROTKMZJEO-UHFFFAOYSA-N	301.386	3.729	30	50	DHEA	
C(#CCN1CCOCC1)CC(c1ccccc1)c1ccccc1	19534853	YGFTVOWRSHHYCM-UHFFFAOYSA-N	305.421	3.544	30	50	DHEA	
O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OC(F)F)cc1	25559646	YMZQJMZDZPPVDL-RQZCQDPDSA-N	307.256	3.642	30	50	DHEA	
N#Cc1ccc(N2CCCC(F)(F)C2)cc1Br	169725790	WKCWFGQGUGAJFU-UHFFFAOYSA-N	301.134	3.556	30	50	DHEA	
C[C@H](/N=C(/O)[C@@H]1CCCc2nn(C)cc21)c1ccc(Cl)cn1	328782227	VCLYJPZPKDATNR-CMPLNLGQSA-N	318.808	3.606	30	50	DHEA	
N#C[C@@H]1CC[C@@H](OC(=O)c2cncc(-c3ccc(F)cc3)c2)C1	1875287679	UOEDVBZHNGNPNB-SJKOYZFVSA-N	310.328	3.737	30	50	DHEA	
Clc1cccc(N/N=C/c2ccc(N3CCOCC3)cc2)c1	5016646	VGOYOZSCGMVEJZ-CPNJWEJPSA-N	315.804	3.623	30	50	DHEA	
S=c1[nH]nc(-c2cccnc2)n1/N=C/C=C/c1ccccc1	6228022	RARNRBLSPYYIFW-VZGYRVSQSA-N	307.382	3.550	30	50	DHEA	
CC(/C=N/N1CCN(Cc2ccc(C)cc2)CC1)=C\c1ccco1	19791196	UXZUYQXFDLQOBR-VUYRMCIOSA-N	323.440	3.795	30	50	DHEA	
Cc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1	100522132	YJPXEDWDLWNCAC-DEDYPNTBSA-N	305.381	3.543	30	50	DHEA	
COc1cccc2c1CCCCN2C(=O)c1cccc(CC#N)c1	178890024	LPOSOQZQFKLEFJ-UHFFFAOYSA-N	320.392	3.744	30	50	DHEA	
CC(=O)/C(=C1/OC(=O)c2ccccc21)c1ccc(C(C)=O)cc1	121619	REMRSPWDQIVEEB-ZCXUNETKSA-N	306.317	3.517	30	50	DHEA	
CCN(CC)c1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1	275252	UTAAZNXMIWMVNE-UHFFFAOYSA-N	320.392	3.908	30	50	DHEA	
O=C(NC1CCCCC1)O/N=C(\c1ccccc1)c1ccncc1	23634486	MYWHNUYNKNGHLZ-RELWKKBWSA-N	323.396	3.893	30	50	DHEA	
C=CCN(Cc1ccc(F)cc1)Cc1cnc(NC(C)C)nc1	55357641	HQBYUVXQFWDXDC-UHFFFAOYSA-N	314.408	3.624	30	50	DHEA	
Cc1nc2c(s1)CCC[C@@H]2C/N=C(/O)Nc1cnccc1C	328616458	BSPWJLOVUXQEQS-GFCCVEGCSA-N	316.430	3.601	30	50	DHEA	
C#CCCC1(CCC(=O)N2CCc3ccc(Cl)cc3C2)N=N1	952882358	UWIFZCQZSLORMV-UHFFFAOYSA-N	315.804	3.580	30	50	DHEA	
CN(C)c1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1	1305604	QTSVQZUWSPRAQN-LDADJPATSA-N	323.425	3.556	30	50	DHEA	
CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc(F)c1	2060947	MDEWMRJTOZGEFC-MRXNPFEDSA-N	319.376	3.690	30	50	DHEA	
CC(C)(C#N)CC(=O)NC12CCC(C(F)(F)F)(CC1)CC2	618751183	PELJMIYZXBNPMG-UHFFFAOYSA-N	302.340	3.698	30	50	DHEA	
C=CC[C@@H](C(=O)N1CC[C@@H](c2ccccn2)C1)c1ccccc1	798717350	ZPUSULHPTCYNOG-QZTJIDSGSA-N	306.409	3.757	30	50	DHEA	
N/C(=N\OC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1	4685156	NYVOEEDOPKDORK-UHFFFAOYSA-N	324.767	3.971	30	50	DHEA	
C=CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	4869103	WDZWKKFUJFLHGP-UHFFFAOYSA-N	312.325	3.720	30	50	DHEA	
C=CCCC[C@H]1C[C@H]1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	43761582	LVHNROBLVJHWKA-ATARQRRYSA-N	318.333	3.893	30	50	DHEA	
CCOC(=O)C(C(C)=O)=C(Nc1ccccc1)Nc1ccccc1	100399544	YBFTZLZHLWCKCU-UHFFFAOYSA-N	324.380	3.574	30	50	DHEA	
Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(O)cc1	1307175	KQDIVKHEKNWGPT-LICLKQGHSA-N	310.382	3.504	30	50	DHEA	
N#Cc1ccccc1OCCCOc1cccc2cccnc12	4868728	LHWBQCAXWLVOLZ-UHFFFAOYSA-N	304.349	3.954	30	50	DHEA	
CC(/C=N\N1CCN(c2ccccc2)CC1)=C\c1ccccc1	12342814	ZPQXCOCXZPFXBJ-MELVWCACSA-N	305.425	3.898	30	50	DHEA	
C=CCOc1ccccc1NC(=O)N(CC)C[C@@H]1CCCCO1	96141349	MJBWEPCQFLBITH-HNNXBMFYSA-N	318.417	3.674	30	50	DHEA	
Cc1cc(NC(=O)[C@H](c2ccc(C#N)cc2)C(C)C)cnc1C	1875328904	QWVPEQFKULUOPI-SFHVURJKSA-N	307.397	3.948	30	50	DHEA	
N#Cc1c(N)n(-c2ccccc2Cl)c2nc3ccccc3nc12	390244	MSIIUXMQHBDWSO-UHFFFAOYSA-N	319.755	3.681	30	50	DHEA	
CC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1	4665091	NJMBVVVLSJLFOA-SFHVURJKSA-N	309.409	3.880	30	50	DHEA	
C=CC[C@H]1C=C(C)C[C@H](CC=C)N1Cc1ncccc1C(=O)O	65454534	CCOGSIYPKQCVBO-HOTGVXAUSA-N	312.413	3.821	30	50	DHEA	
C=CC[C@H](C(=O)OC(C)(C)C)[C@@H](CCC(F)(F)F)C(=O)O	222124902	NDDBDYNXRIMOME-ZJUUUORDSA-N	310.312	3.564	30	50	DHEA	
CCn1c([C@H]2CCCN2c2cc(C#N)ccn2)nc2ccccc21	283967926	ZEZLHSDHELQZNV-QGZVFWFLSA-N	317.396	3.664	30	50	DHEA	
COc1ccc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1Cl	71758811	KFSQNIWBIPVEAV-UHFFFAOYSA-N	324.771	3.860	30	50	DHEA	
O=C(c1ccccc1)N1C(F)(F)C1(C(F)(F)F)C(F)(F)F	100300522	VFANXPTWSPJOPQ-UHFFFAOYSA-N	319.151	3.599	30	50	DHEA	
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2	100834696	JVOPAVIHBLLOIR-YVEFUNNKSA-N	300.358	3.916	30	50	DHEA	
C=C1C[C@@]2(C)CC[C@H]1[C@](O)([S@@](=O)(=NC)c1ccccc1)C2	101142876	JPJZYPSHXATKHW-BZLDKRAPSA-N	305.443	3.598	30	50	DHEA	
CC[C@@H]1c2ccccc2CCN1c1ccc(C#N)cc1[N+](=O)[O-]	301259269	GIOKNSQFTKJHLI-MRXNPFEDSA-N	307.353	3.980	30	50	DHEA	
CC(O)=Nc1cccc(NS(=O)(=O)CCCC(C)(C)C)c1	328596068	QIGQCUPBDOTMAS-UHFFFAOYSA-N	312.435	3.863	30	50	DHEA	
O=C1/C(=C/c2ccccc2F)CNC/C1=C\c1ccccc1F	34009101	NIVYQYSNRUIFIF-KAVGSWPWSA-N	311.331	3.604	30	50	DHEA	
C=CCN(Cc1ccc(F)cc1)Cc1c(C)nn(C)c1Cl	55393430	GXFKYZWEWCPKJU-UHFFFAOYSA-N	307.800	3.709	30	50	DHEA	
C=CCC[C@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1ccco1	170615978	WWYMIFUJPNLSQH-KGLIPLIRSA-N	316.367	3.761	30	50	DHEA	
CC(=NN1CCN(c2ccc(Cl)cc2)CC1)c1cccs1	244831537	UFOZNJRHVQOLAD-UHFFFAOYSA-N	319.861	3.948	30	50	DHEA	aggregator
Cn1c(SCc2ccc(C#N)cc2)nnc1-c1cccs1	530695	NKAWEDRDTPFTSK-UHFFFAOYSA-N	312.423	3.708	30	50	DHEA	
Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cccc(C(=O)O)c1	126409042	VALOETBLRXHTAL-CMDGGOBGSA-N	312.369	3.675	30	50	DHEA	
CC1(C)OB(c2ccc(CNc3ccccc3)cc2)OC1(C)C	169747210	KNYGNGFJIPTYBJ-UHFFFAOYSA-N	309.218	3.598	30	50	DHEA	in-vitro
COc1ccc(NC2=CC(=O)C[C@H](c3ccco3)C2)c(OC)c1	4663351	BGHNOAUOFSYTEU-GFCCVEGCSA-N	313.353	3.739	30	50	DHEA	
Cc1ccc(/C=N/n2c(S)nnc2-c2cccc(Cl)c2)o1	5969430	ZEMFQZVLHKAFSP-LZYBPNLTSA-N	318.789	3.671	30	50	DHEA	
C#CCSc1nc(O)c2c(n1)-c1ccccc1CC21CCCC1	18276776	ZQJFEYOEHOUNIS-UHFFFAOYSA-N	322.433	3.942	30	50	DHEA	biogenic
CC(=O)CC[C@@H]1[C@@H](C)CC[C@@H]2CC(=O)C[C@@H](CCC=O)[C@]21C	71786286	RJYVBZUBCKBLRW-JQQBCXFOSA-N	306.446	3.982	30	50	DHEA	
FC(F)(F)c1ncccc1OC(C(F)(F)F)C(F)(F)F	169725740	ZXRFEXZVVWOUMV-UHFFFAOYSA-N	313.119	3.972	30	50	DHEA	
CC(C)(C#N)c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1	215294986	IQWSRCPVZCIHAG-UHFFFAOYSA-N	302.381	3.795	30	50	DHEA	
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/N	253499558	JMBJWQVSQZGGFA-HNSKXJLDSA-N	304.478	3.705	30	50	DHEA	biogenic
Cc1ccc(OC2CCCC2)c(B2OC(C)(C)C(C)(C)O2)c1	306156800	LVMZOHYDXQFFER-UHFFFAOYSA-N	302.223	3.616	30	50	DHEA	
Cc1nnc(SCc2ccccc2C#N)n1-c1ccccc1	620128	LYPDMUWLXFBPQY-UHFFFAOYSA-N	306.394	3.740	30	50	DHEA	
O=C1c2ccccc2C(=O)c2c(C#Cc3ccccc3)cccc21	4190281	UFGJXIRNVAPIBS-UHFFFAOYSA-N	308.336	3.862	30	50	DHEA	biogenic
CCn1cc(Br)c(C(=O)/C=C/c2ccc(F)cc2)n1	6635993	IOFIGVDYWZWGGG-VMPITWQZSA-N	323.165	3.701	30	50	DHEA	
Cc1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1	16677859	WIAJWBKHNRSQBV-ZHZULCJRSA-N	313.832	3.805	30	50	DHEA	
N#Cc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1	315491324	UOLQYYAVXFQEHU-UHFFFAOYSA-N	308.234	3.968	30	50	DHEA	
Cc1cc(C)cc(OCc2nc(C#N)c(N3CCCCC3)o2)c1	1775976121	JRNDXSIDRSCZEM-UHFFFAOYSA-N	311.385	3.732	30	50	DHEA	
N#C[C@@H]1CC[C@H](OC(=O)c2cncc(-c3ccc(F)cc3)c2)C1	1875287677	UOEDVBZHNGNPNB-PXAZEXFGSA-N	310.328	3.737	30	50	DHEA	
CC(C)C[N@]1C[C@@H]1COc1ccc(-c2ccc(C#N)cc2)cc1	1875385605	XISVYCWPFHUIAU-DENIHFKCSA-N	306.409	3.944	30	50	DHEA	
CC1(C)OB(c2ccc(Cl)cc2C(F)(F)F)OC1(C)C	206184142	LXNGZRBNPCAJOD-UHFFFAOYSA-N	306.520	3.658	30	50	DHEA	
C=CC[C@H](C(=O)N1CC[C@H](c2ccccn2)C1)c1ccccc1	798717351	ZPUSULHPTCYNOG-ROUUACIJSA-N	306.409	3.757	30	50	DHEA	
C=CCC(C)(C)CN1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1	1529119532	JMBBIIJHLQCUAN-YLJYHZDGSA-N	324.468	3.672	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1	1875329343	RLHYFNORQJSOBT-LJQANCHMSA-N	300.361	3.517	30	50	DHEA	
S=c1[nH]nc(-c2ccco2)n1/N=C/c1ccccc1Cl	1243499	AAIALWWZXMYMBZ-OVCLIPMQSA-N	304.762	3.736	30	50	DHEA	
COc1ccc(CN(c2nc(Cl)c(C#N)s2)C2CC2)cc1	225650031	APADZACSMFOVSS-UHFFFAOYSA-N	319.817	3.846	30	50	DHEA	
C[C@H](/C(O)=N/[C@@H]1CCOc2c(Cl)cccc21)c1cncnc1	328595946	LFNTXIONNOFFSO-IINYFYTJSA-N	317.776	3.714	30	50	DHEA	
COc1ccc(C)nc1N=C(O)[C@H]1C[C@]12CCOc1ccccc12	329917515	QWUTZEBQAIILTB-KUHUBIRLSA-N	324.380	3.727	30	50	DHEA	
CC[C@H](C)[C@@H]1CCCC/C1=N\NS(=O)(=O)c1ccc(C)cc1	18067739	FEEALDLWCLMVCP-IQBIWGFDSA-N	322.474	3.866	30	50	DHEA	
CCCN(CC#Cc1ccccc1)c1nc(C)nc2oc(C)nc12	55413523	OQQDKHYUXLNXOI-UHFFFAOYSA-N	320.396	3.503	30	50	DHEA	
Cc1ccc(C#N)c(NC2CCN([C@H](C)c3ccccc3)CC2)n1	161467384	SSXPTIRKDIJONI-MRXNPFEDSA-N	320.440	3.899	30	50	DHEA	
C[C@@H]1c2ccc3ccccc3c2Oc2nc(N)c(C#N)c(N)c21	253471291	OQVUEQVIIQWKCU-SECBINFHSA-N	302.337	3.528	30	50	DHEA	
CCOc1cccc2[nH]cc(C/C(O)=N/Cc3ocnc3C)c12	328592205	MZBUXOUSHUDDNX-UHFFFAOYSA-N	313.357	3.562	30	50	DHEA	
CC[C@H](Cc1ccc(F)cc1)NC(=O)[C@]1(C#N)CC12CCCC2	597886635	PDCNBUWCCPNLMU-VQIMIIECSA-N	314.404	3.737	30	50	DHEA	
C=C(C)COc1ccc(NC(=O)c2cnc(C3CC3)nc2)cc1	952972515	FUPHOCHJVMIUDQ-UHFFFAOYSA-N	309.369	3.561	30	50	DHEA	
Cc1c(C#N)c(-c2cc3c(cc2O)OCO3)nc2ccccc12	2356149052	HKFYGMUARXRMRE-UHFFFAOYSA-N	304.305	3.516	30	50	DHEA	
C/C(=N/NC(N)=S)c1cc(C(C)(C)C)cc2c1CCC2(C)C	296509	QAODLWUNMWRAGG-JAIQZWGSSA-N	317.502	3.765	30	50	DHEA	
CSc1cc(N=C(O)c2ncccc2Br)ccn1	328594654	CEUFXJCCFALRLG-UHFFFAOYSA-N	324.203	3.597	30	50	DHEA	
COc1ccc(Cl)c2c1CCC[C@@H]2N(C)CCO[C@H](C)C#N	844443044	HVRLPLUCUVZHNL-DOMZBBRYSA-N	322.836	3.586	30	50	DHEA	
CCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)CO	1501016315	OYOBZNGORNIQRL-QWPQOLDESA-N	314.466	3.750	30	50	DHEA	
COc1cccc2c1N(C(=O)CSCC#N)C(C)(C)C[C@@H]2C	1775997308	AAOFGJMULXUIEJ-LBPRGKRZSA-N	318.442	3.571	30	50	DHEA	
CCn1cc(C(=O)CSc2ncccc2C#N)c2ccccc21	10007793	UUMFMYMEPNTGBW-UHFFFAOYSA-N	321.405	3.903	30	50	DHEA	
C=C(CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)O	33895247	CKUYHCQGMBHTTK-UHFFFAOYSA-N	302.276	3.845	30	50	DHEA	
CC(C)(C)c1ccc(C#N)c(N2CCC[C@H]2[C@@H]2CCCOC2)n1	591955992	QKSPGEREJMZYRN-CVEARBPZSA-N	313.445	3.646	30	50	DHEA	
CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H]2[C@@H]2CCCOC2)n1	591955994	QKSPGEREJMZYRN-HZPDHXFCSA-N	313.445	3.646	30	50	DHEA	
CCOC(=O)[C@@H](C#N)[C@@]1(c2ccc(C)cc2)CCOC(C)(C)C1	209721	CYXLBAWOZNHCJF-APWZRJJASA-N	315.413	3.525	30	50	DHEA	
COc1cccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c1	395965	JTZGFQFVCGPXND-UHFFFAOYSA-N	324.376	3.823	30	50	DHEA	
C=C(C)COc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1	445868	RADBIQSEIGBPSE-PDGQHHTCSA-N	319.360	3.986	30	50	DHEA	
CC1(C)OB(c2cc(Cl)cc(OC(F)(F)F)c2)OC1(C)C	169978317	JOHLHDNQZYFLBR-UHFFFAOYSA-N	322.519	3.538	30	50	DHEA	
N#CCc1c(F)c(F)cc(Br)c1Br	263623692	JUEXJMROKTUZES-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
CCCC[C@H]1CCCN1C(=O)c1ccc(C#CC(C)(C)O)cc1	952992233	YWGRQFBVCMHDNE-SFHVURJKSA-N	313.441	3.604	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2csc(C#N)c2)cc1	1875329310	PVDZHFZMZPTQEE-QGZVFWFLSA-N	306.390	3.578	30	50	DHEA	
N#CC1(C#N)C[C@@H](C=C2[C@H]3CC[C@H]2c2ccccc23)C1(C#N)C#N	104294131	YOCWCRBQTQEUSJ-COXVUDFISA-N	310.360	3.675	30	50	DHEA	
C[C@H](/N=C(/O)[C@H]1CCCC(O)=N1)c1nc(C(C)(C)C)cs1	328830455	UVMNWYABRKDSFQ-VHSXEESVSA-N	309.435	3.967	30	50	DHEA	
C#CCCC1(CCC(=O)N[C@H]2C[C@H](c3ccccc3F)C2)N=N1	952882055	RKPNESFIHBMLHK-HDJSIYSDSA-N	313.376	3.544	30	50	DHEA	
Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cccc(O)c1	5982054	UYUITPCYFSMPPF-LICLKQGHSA-N	310.382	3.504	30	50	DHEA	
C=CCc1cc(Cl)ccc1OCCN1C[C@H](C)O[C@@H](C)C1	20167777	KWWLFRDAAIHMKQ-KBPBESRZSA-N	309.837	3.557	30	50	DHEA	
N#Cc1c(Br)cccc1N1CCCC(F)(F)C1	169725825	LNFWIWNZRNZQPR-UHFFFAOYSA-N	301.134	3.556	30	50	DHEA	
CC1(C)OB(c2ccc(NC3CCCCCC3)nc2)OC1(C)C	214108457	GEGZHXXIZBWGLQ-UHFFFAOYSA-N	316.254	3.516	30	50	DHEA	
Cc1cc(F)cc2c1CN(c1ncc(C#N)cc1Cl)CC2	336930904	PMAJAFBSQDRBPY-UHFFFAOYSA-N	301.752	3.617	30	50	DHEA	
C#CCCC1(CCC(=O)NCCc2cccc(C3CC3)c2)N=N1	2325900329	UIRFIFVSNVIZHO-UHFFFAOYSA-N	309.413	3.578	30	50	DHEA	
N#Cc1cccc(C#N)c1N1CCC[C@H](CN2CCCCCC2)C1	302389235	BJFBZGLILRHFKC-QGZVFWFLSA-N	322.456	3.522	30	50	DHEA	
C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1nc2cccc(C)n2c1F	71764253	HNDXBEDZUAHTNJ-TZMCWYRMSA-N	313.376	3.517	30	50	DHEA	
N#Cc1cccc(CN2CCC[C@@H](C(=O)Cc3ccccc3)C2)c1	72129681	UYYWEIQVCPMVIM-HXUWFJFHSA-N	318.420	3.582	30	50	DHEA	
N#CCCCOc1cccc(CNCc2nc3ccccc3[nH]2)c1	252537524	LNCASBVRMSZUBU-UHFFFAOYSA-N	320.396	3.535	30	50	DHEA	
Cc1ccc(/C(N)=N/OC(=O)c2ccc3ccccc3c2)cc1	4725325	OCHUYZCQFZEMGU-UHFFFAOYSA-N	304.349	3.626	30	50	DHEA	
CC(C)(C)C[C@@H](NC(=O)N1CCC(C#N)CC1)c1cccnc1	534644747	PRTUVMUKIMPOPP-MRXNPFEDSA-N	314.433	3.504	30	50	DHEA	
CCOc1cc(C#N)c(NC(=O)Cc2ccccc2)cc1OCC	104022	STODZIHNBRHDGG-UHFFFAOYSA-N	324.380	3.537	30	50	DHEA	
CCCCCCCCCCCCCC(=O)OC[C@H](O)CO	32840884	DCBSHORRWZKAKO-MRXNPFEDSA-N	302.455	3.584	30	50	DHEA	endogenous,in-vitro
C=C[C@@H](CC=O)NC(=O)OCC1c2ccccc2-c2ccccc21	218906108	SUHRKWYKVUXTFN-AWEZNQCLSA-N	321.376	3.669	30	50	DHEA	
COc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2C)cc1OC	65493	PDIQEQBIOBNTHV-LICLKQGHSA-N	300.314	3.671	30	50	DHEA	
O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)COc2ccccc21	3400045	LEOYEKPRSHJSFA-YRNVUSSQSA-N	315.712	3.907	30	50	DHEA	
Cc1ccccc1/C=N/n1c(S)nnc1-c1ccc(F)cc1	5981878	XXABXCHQMKETDH-VCHYOVAHSA-N	312.373	3.564	30	50	DHEA	
N#C[C@H](c1ccccc1)c1ccc(I)cc1	95221334	FQBKDUCJNVVOES-CQSZACIVSA-N	319.145	3.947	30	50	DHEA	
C=CCNc1ncc(C(=O)N2CCC[C@]3(CC=CCC3)C2)s1	128952793	DXMXQEWJHUBXFY-QGZVFWFLSA-N	317.458	3.704	30	50	DHEA	
CC1(C)OB(c2ccc(C(F)(F)F)cc2C2CC2)OC1(C)C	203614248	ZSXRRQXFEQIHBE-UHFFFAOYSA-N	312.140	3.882	30	50	DHEA	
Cc1ccc2cccc(NC(=O)c3ccc(C#N)cc3F)c2n1	6697215	QDINAMRPNZZVKS-UHFFFAOYSA-N	305.312	3.806	30	50	DHEA	
N#Cc1cc(Br)ccc1N1CCC(F)(F)CC1	169725881	QJIPKBFALRFXSF-UHFFFAOYSA-N	301.134	3.556	30	50	DHEA	
CCc1c(C)sc(NC(=O)c2cc(C(C)C)on2)c1C#N	2498032	TUTDVGLGCOPHBH-UHFFFAOYSA-N	303.387	3.854	30	50	DHEA	
C=CCCC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1	295708665	WFHONHHODSVNIB-UHFFFAOYSA-N	318.364	3.834	30	50	DHEA	
COc1ccc(/C=N/NC(=S)Nc2cccc(Cl)c2)cc1	4360413	HBPIZMQTHPVVJB-LICLKQGHSA-N	319.817	3.669	30	50	DHEA	
Cc1ccc(C(=O)O/N=C(\N)c2ccccc2Cl)c(Cl)c1	8572671	OMJBYPSSWFKDGO-UHFFFAOYSA-N	323.179	3.779	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C	9231484	IMSSROKUHAOUJS-XKRYSZRTSA-N	310.437	3.916	30	50	DHEA	biogenic,in-vitro
COc1cccc(Cl)c1CN(CCC#N)Cc1ccco1	179541995	ZQVFKBURLXQLIK-UHFFFAOYSA-N	304.777	3.857	30	50	DHEA	
CNc1cc([N+](=O)[O-])ccc1N/C=C\C(=O)c1ccc(F)cc1	5061556	UMIGJSSFISMVIK-HJWRWDBZSA-N	315.304	3.584	30	50	DHEA	
COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC	5123029	HASYJTSNJVEZJN-WEVVVXLNSA-N	313.309	3.508	30	50	DHEA	
C/C(=N\N=C1/CCCCCN1)c1ccc(Br)cc1	5494489	BCPDXAYZISJYCL-GZTJUZNOSA-N	308.223	3.735	30	50	DHEA	
Cc1cccc(-c2cc[n+](CC(=O)c3ccc(Cl)cc3)cn2)c1	5711118	AMPUYZXWYXBVAG-UHFFFAOYSA-N	323.803	3.881	30	50	DHEA	
CNc1ccc([N+](=O)[O-])cc1N/C=C\C(=O)c1ccc(C)cc1	6266844	VQRQOPVWJSQYRI-KTKRTIGZSA-N	311.341	3.753	30	50	DHEA	
C[C@H]1c2ccc3ccccc3c2Oc2nc(N)c(C#N)c(N)c21	253471293	OQVUEQVIIQWKCU-VIFPVBQESA-N	302.337	3.528	30	50	DHEA	
C=C/C(O)=N/[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1	328596843	ATEXTKDGVUTOOI-CQSZACIVSA-N	322.364	3.727	30	50	DHEA	
C=CCN(Cc1ccccc1OC)C(=O)c1ccc(F)c(C)c1	952960979	RWFVBVOTOSTVEA-UHFFFAOYSA-N	313.372	3.971	30	50	DHEA	
COc1ccc(/C=N/Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]	4991814	NYIUNCQQOHVRFB-CXUHLZMHSA-N	305.721	3.703	30	50	DHEA	
C=CCOc1ccccc1NC(=O)COc1ccc(Cl)cc1	9815073	HVIOCIBKXRVNKC-UHFFFAOYSA-N	317.772	3.922	30	50	DHEA	
C=CCN(Cc1ccco1)Cc1c[nH]nc1-c1ccc(F)cc1	55575591	NAAXSDWXYJFGAA-UHFFFAOYSA-N	311.360	3.997	30	50	DHEA	
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1cccc([N+](=O)[O-])c1)C2	100261816	YPVFIJNLUZBQKV-YVEFUNNKSA-N	300.358	3.916	30	50	DHEA	
Cc1cc(C)c(C(=O)/C=C2/Nc3ccccc3OC2=O)c(C)c1	100540004	DIKMILZAFHNWDT-XNTDXEJSSA-N	307.349	3.710	30	50	DHEA	
COc1ccc(COc2cc(Br)cc(C#N)c2)cc1	113298809	QMBBGCLINHISLC-UHFFFAOYSA-N	318.170	3.908	30	50	DHEA	in-vitro
CC(C)(C)OC(=O)N1CCC([C@H](C#N)c2ccccc2)CC1	261233631	QWIOHAKEHDFJLM-MRXNPFEDSA-N	300.402	3.941	30	50	DHEA	
COc1ccc(Br)cc1/C=C/C(=O)c1ccco1	4954214	GDVTWSIEBJTHCG-GQCTYLIASA-N	307.143	3.947	30	50	DHEA	
CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(CC#N)cc1	16576838	LSMOMIDJDDSZPP-INIZCTEOSA-N	324.380	3.557	30	50	DHEA	
C=CCN(Cc1ccccc1C)C(=O)CC[C@H]1CCCN(C)C1	55196563	BYYGONRLGBJDND-GOSISDBHSA-N	314.473	3.632	30	50	DHEA	
CCCCCCCCCCO[P@@](=O)(O)OCC[N+](C)(C)C	58660415	VVVDGSCGBGBGFN-UHFFFAOYSA-O	324.422	3.967	30	50	DHEA	in-vitro
O/C(CCc1cccnc1)=N/C[C@H]1CCO[C@@H]1c1ccccc1	328609345	CXTGEURVQBPYCA-IEBWSBKVSA-N	310.397	3.749	30	50	DHEA	
CCc1nnsc1/C(O)=N/[C@H](C)c1nc(C(C)(C)C)cs1	330664563	YUUCIQISKYHSHM-MRVPVSSYSA-N	324.475	3.920	30	50	DHEA	
C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC	607714760	BMVIRDJAPBCAPQ-WQGSDSCCSA-N	314.469	3.963	30	50	DHEA	in-vitro
C[C@H]1COC[C@@H]1NCCC(C#N)(c1ccccc1)c1ccccc1	932491939	NSRSXNSCCDYYIG-PXNSSMCTSA-N	320.436	3.511	30	50	DHEA	
C=C[C@@H]1CCCCN1C(=O)Nc1nc2ccc(C)nc2s1	932692984	LRIMBCDIDJPVJG-LLVKDONJSA-N	302.403	3.572	30	50	DHEA	
C=CCC(=O)N[C@H]1CCCc2c1cnn2-c1cccc(C)c1C	12055729	YRDOBALKAWMNBZ-INIZCTEOSA-N	309.413	3.559	30	50	DHEA	
CC(=O)N1/C(=C/Nc2ccc(Cl)cc2)C(=O)c2ccccc21	100069239	QRRFPMGNHWJZQB-MHWRWJLKSA-N	312.756	3.843	30	50	DHEA	
C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC1	529443	PRNOSFJOXHACBB-UHFFFAOYSA-N	316.408	3.996	30	50	DHEA	
Cc1cc(NC=C2C(=O)c3ccccc3C2=O)c2ccccc2n1	2561902	OSIWLDMJQQJMOW-UHFFFAOYSA-N	314.344	3.918	30	50	DHEA	
O=C1C=C(Nc2ccccc2C(=O)O)C[C@H](c2ccccc2)C1	4422149	NCVFABTXZKQGEB-AWEZNQCLSA-N	307.349	3.827	30	50	DHEA	
Cc1nc(Cl)cc(N/N=C/c2c(O)ccc3ccccc23)n1	4947071	QKTBAGPZUFKLKD-GIJQJNRQSA-N	312.760	3.743	30	50	DHEA	
C/C(=C\C(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1	5816505	RFSQBOFYEDTRQE-FOCLMDBBSA-N	322.408	3.722	30	50	DHEA	
C=CC[C@@H](Cc1ccc(Cl)cc1)N(COCC)C(=O)OC	201060890	CWUKFXVGYJPDTG-HNNXBMFYSA-N	311.809	3.890	30	50	DHEA	
C#CCCC1(CCC(=O)NC2(c3cccc(Cl)c3)CC2)N=N1	952883345	ZBTNOYDTVDKRPN-UHFFFAOYSA-N	315.804	3.801	30	50	DHEA	
N#CCc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1	582536	JUOPBCRPVQZKJX-UHFFFAOYSA-N	322.389	3.707	30	50	DHEA	
CCOc1ccc(C(=O)Nc2cccc(C#N)c2)cc1OCC	618198	UNRYNSGHVHVMJT-UHFFFAOYSA-N	310.353	3.608	30	50	DHEA	
Cc1noc(-c2ccccc2)c1N=C(O)N1CCC(F)(F)C1	330169552	WSJKMEWGWHVHFU-UHFFFAOYSA-N	307.300	3.537	30	50	DHEA	
Cc1ccc(NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc1	382643281	RGBDVKSIDBQKAN-UHFFFAOYSA-N	323.245	3.906	30	50	DHEA	
N#CCC(=O)Nc1ncc(Cc2cccc3ccccc23)s1	319401	CKTGKRBMSFERPZ-UHFFFAOYSA-N	307.378	3.739	30	50	DHEA	
CCOc1ccc(/C=C2/C(=O)c3ccccc3N2C)cc1OC	2785553	JVDMJUOXRUNVKG-WJDWOHSUSA-N	309.365	3.768	30	50	DHEA	
COc1cccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c1OC	4582557	SLXURXWJGMKJLK-FLIBITNWSA-N	313.309	3.508	30	50	DHEA	
COc1ccc(C(=O)/C=C/NCCc2ccc(Cl)cc2)cc1	6490624	SQHOYDMWHBSDQZ-ACCUITESSA-N	315.800	3.877	30	50	DHEA	
Cn1cc(Cl)c(C(=O)/C=C/c2ccc(OC(F)F)cc2)n1	6827983	AGUXACVQZSZPEJ-QPJJXVBHSA-N	312.703	3.571	30	50	DHEA	
CN(Cc1cc(-c2ccccc2)n[nH]1)Cc1ccccc1C#N	97711692	JYWSQYGDCALIHE-UHFFFAOYSA-N	302.381	3.580	30	50	DHEA	
C/C(C=NN1CCN(Cc2ccccc2)CC1)=C\c1ccccc1	245238238	HBIXGQWYCSADMV-PLFMGXQMSA-N	319.452	3.894	30	50	DHEA	
CC(C)(C)C[C@H](NC(=O)N1CCC(C#N)CC1)c1cccnc1	534644731	PRTUVMUKIMPOPP-INIZCTEOSA-N	314.433	3.504	30	50	DHEA	
COc1ccc(Cl)c2c1CCC[C@H]2N(C)CCO[C@@H](C)C#N	844443046	HVRLPLUCUVZHNL-SWLSCSKDSA-N	322.836	3.586	30	50	DHEA	
COc1ccc(C(=O)/C(=C/c2ccc(Cl)cc2)[N+](=O)[O-])cc1	1848444161	RIEJOGCENOIBFA-GDNBJRDFSA-N	317.728	3.849	30	50	DHEA	
Fc1ccc(NC(=S)N/N=C/c2ccc(Cl)cc2)cc1	2506350	NULFXZXNYCPPIT-RQZCQDPDSA-N	307.781	3.800	30	50	DHEA	
COc1ccc(/N=C/c2cc(Br)ccc2O)cc1	18137208	TYBHINZUFBWUMY-CXUHLZMHSA-N	306.159	3.914	30	50	DHEA	
CC1(C)OB([C@H]2CCCN(C(=O)C3=CCCC3)CC2)OC1(C)C	1875370130	CMZDKKSKTXADJB-HNNXBMFYSA-N	319.254	3.572	30	50	DHEA	
Cc1ccc2c(c1)CCCN2C=C1C(=O)c2ccccc2C1=O	2562064	XQLUSRHNQAPKJI-UHFFFAOYSA-N	303.361	3.711	30	50	DHEA	
C=CCn1c(=S)[nH]c2sc3c(c2c1=O)C[C@@](C)(CC)OC3	5059457	PAMVWFOYXPELKF-OAHLLOKOSA-N	322.455	3.548	30	50	DHEA	
C=C(C)COc1ccc(C(=O)N(C)[C@@H](C)Cc2ccccn2)cc1	55344321	DZSHOTVOUVWWRB-INIZCTEOSA-N	324.424	3.740	30	50	DHEA	
C[C@@H]1[C@H]2C[C@@H](CC(C)(C)C2)N1CC(=O)[C@H](C#N)c1ccccc1	239347269	MPCQATJIMCXBFJ-LAVFITLUSA-N	310.441	3.762	30	50	DHEA	
N#Cc1ccc(-c2nnc3n2CCCC[C@@H]3C2CCOCC2)cc1	1616039086	WFCKNWUYGDEURK-QGZVFWFLSA-N	322.412	3.511	30	50	DHEA	
CCc1noc(C)c1C(=O)Nc1sc(C)c(CC)c1C#N	13327250	MLCQANAVOUVWII-UHFFFAOYSA-N	303.387	3.602	30	50	DHEA	
FC(F)(F)[C@@]1(F)C(F)(F)C(F)(F)[C@]1(F)C(F)(F)F	95681876	RBTROQHBNLSUTL-LWMBPPNESA-N	300.042	3.812	30	50	DHEA	
N#CC1(C#N)C[C@H](C=C2[C@H]3CC[C@H]2c2ccccc23)C1(C#N)C#N	247694105	YOCWCRBQTQEUSJ-JQFCIGGWSA-N	310.360	3.675	30	50	DHEA	
C#CCCC1(CCC(=O)NC[C@@H]2CC[C@H]3[C@@H](CC2)C3(F)F)N=N1	1875368586	CBIOGZOZXBZTKO-BTTYYORXSA-N	323.387	3.530	30	50	DHEA	
C/C(=N/OC(=O)[C@H]1CC12CCC2)c1ccc(Br)cc1	4756128	XFDRXGVMZOCPRW-OMJMQIJPSA-N	322.202	3.907	30	50	DHEA	
N#CCc1ccc(NC[C@]2(c3ccc(F)cc3)CCOC2)cc1	20818688	BWHQMFBHIOVJIX-LJQANCHMSA-N	310.372	3.662	30	50	DHEA	
Cc1cnc([C@@H](C)/N=C(/O)CCc2nc(C3CCCC3)no2)o1	329409755	CTNFLQQNSABIMS-LLVKDONJSA-N	318.377	3.674	30	50	DHEA	
CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)c1ccccc1C#N	1506417400	HVJWEPLHZSDHQC-OAQYLSRUSA-N	318.420	3.998	30	50	DHEA	
CC(C)OC(=O)CSc1nc2c(cc1C#N)CCCCCC2	4869736	QPAVAWYGTQWIBH-UHFFFAOYSA-N	318.442	3.656	30	50	DHEA	
C/C(=N\Nc1cc(C)nc(-c2ccccc2)n1)c1ccc(O)cc1	4947373	GDVVVJUINKNDKP-HYARGMPZSA-N	318.380	3.994	30	50	DHEA	
COc1ccc(CCNc2ccc3cc(C#N)ccc3n2)cc1	170690427	KRCLXNSOOLQNGT-UHFFFAOYSA-N	303.365	3.770	30	50	DHEA	
Sc1nnc(-c2ccccc2)n1N=Cc1cccc(Cl)c1	252429521	YZLYDFQBPIHNLK-UHFFFAOYSA-N	314.801	3.769	30	50	DHEA	
Cn1c([C@H]2CCCN2c2ccc(C#N)cc2)nc2c1CCCC2	275787630	YYOXCUIITCJBPG-GOSISDBHSA-N	306.413	3.512	30	50	DHEA	
Cc1ccc(S(=O)(=O)OCCCCc2ccccc2)cc1	4800762	BTBFNOYVZDSVPX-UHFFFAOYSA-N	304.411	3.723	30	50	DHEA	
NC1=C(Nc2cccc3ccccc23)C(=O)c2ccccc2C1=O	19639201	OLLMRNGHAPKQDP-UHFFFAOYSA-N	314.344	3.501	30	50	DHEA	
O=C1C=C(Nc2ccccc2C(=O)O)C[C@@H](c2ccccc2)C1	4422147	NCVFABTXZKQGEB-CQSZACIVSA-N	307.349	3.827	30	50	DHEA	
O=[N+]([O-])c1ccc(N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	4578352	AHWZXWWRVZACLB-OVCLIPMQSA-N	320.692	3.602	30	50	DHEA	
Clc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)cc1	6576320	HLXWGDPPPMQQLQ-GIJQJNRQSA-N	322.759	3.606	30	50	DHEA	
O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F	95671261	RMLFHPWPTXWZNJ-UHFFFAOYSA-N	316.041	3.586	30	50	DHEA	in-vitro
Cc1ncc(/C(O)=N/CCOC2CCCCCC2)c(C2CC2)n1	329793485	BBZXCOKIYHXSAK-UHFFFAOYSA-N	317.433	3.706	30	50	DHEA	
C#CCCC1(CCC(=O)N2CCC[C@@H](c3ccccc3)C2)N=N1	952881604	OQYSBYALECIYRD-QGZVFWFLSA-N	309.413	3.748	30	50	DHEA	
C#CCCC1(CCC(=O)NCc2c(C)oc3ccccc23)N=N1	952882445	UJJDBVDEXQTNSQ-UHFFFAOYSA-N	309.369	3.713	30	50	DHEA	
C=CCn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21	299787	BGWKLSHFFJVATA-OAHLLOKOSA-N	317.392	3.743	30	50	DHEA	
CCOc1ccc(/C=N/NC(=S)Nc2cccc(C)c2)cc1	357768	BLWUQOMQBZCPNY-LDADJPATSA-N	313.426	3.714	30	50	DHEA	
C#CCCC1(CCC(=O)N[C@H]2C[C@H](c3ccccc3C)C2)N=N1	952880419	KIGQLCLTEAKHBJ-WKILWMFISA-N	309.413	3.713	30	50	DHEA	
Cc1c(CNCc2ccc(-c3ccncc3)cc2)cc(C#N)n1C	2325725438	SZXGUMOPOLBHLN-UHFFFAOYSA-N	316.408	3.557	30	50	DHEA	
C=CCOC(=O)Cn1c(-c2ccc(C)cc2)nc2ccccc21	5318083	UCUXOLIGACWFMU-UHFFFAOYSA-N	306.365	3.741	30	50	DHEA	
C=CCN(Cc1cccnc1)C(=O)c1nc2ccccc2s1	67674316	ZHMMEKWKCQPISD-UHFFFAOYSA-N	309.394	3.520	30	50	DHEA	
N#Cc1nc(Cc2ccccc2)oc1NCCc1ccccc1	1050054	QLVJXNSQJGEBCI-UHFFFAOYSA-N	303.365	3.792	30	50	DHEA	
C=CCn1c(S)nnc1COc1cc(C)c(Cl)c(C)c1	2536743	WIDOHVGVVBBGED-UHFFFAOYSA-N	309.822	3.602	30	50	DHEA	
CCC1([C@](O)(C#CCN2CCCC2)c2ccccc2)CCCC1	2991873	FANYSDJWMLAFLC-NRFANRHFSA-N	311.469	3.944	30	50	DHEA	
C/C(=N/Nc1ncc(C(F)(F)F)cc1Cl)c1ccncc1	5282401	DQLWAVGEZZRKLT-ZBKNUEDVSA-N	314.698	3.985	30	50	DHEA	
O=C(O)CCN1/C(=C/C=Nc2ccccc2)Oc2ccccc21	263592344	GRMYUDFDCFVVJZ-UCZQJPRYSA-N	308.337	3.604	30	50	DHEA	
C=CCc1cc(CN2CCN(C(C)C)[C@@H](CC)C2)ccc1OC	1506421668	LBMJGTABWSSPED-IBGZPJMESA-N	316.489	3.728	30	50	DHEA	
C=CCn1cc(CN(C)[C@H](C)c2nc(C)sc2C)c(C)n1	55327120	GKYPSKXQCWLLFG-GFCCVEGCSA-N	304.463	3.644	30	50	DHEA	
C=CC[C@H](Cc1ccc(Cl)cc1)N(COCC)C(=O)OC	201060918	CWUKFXVGYJPDTG-OAHLLOKOSA-N	311.809	3.890	30	50	DHEA	
O/C(=N/Cc1csc2ccccc12)NC1CCSCC1	328589561	QZWCECYLMDRRST-UHFFFAOYSA-N	306.456	3.801	30	50	DHEA	
CC(C)C[N@]1C[C@H]1COc1ccc(-c2ccc(C#N)cc2)cc1	1875385607	XISVYCWPFHUIAU-SIKLNZKXSA-N	306.409	3.944	30	50	DHEA	
CNc1ncc(C(=O)C/C=N/OCc2ccc(Cl)cc2)s1	4091340	DLHOHHLZHKSMJQ-CNHKJKLMSA-N	323.805	3.614	30	50	DHEA	
Cc1ccc(-c2nc(N)c(C#N)c(-c3ccc(CO)o3)c2C)cc1	67458115	MERYYKNHRWSRMI-UHFFFAOYSA-N	319.364	3.572	30	50	DHEA	
C[C@H](/C(O)=N/[C@H]1CCOc2c(Cl)cccc21)c1cncnc1	328595945	LFNTXIONNOFFSO-HZMBPMFUSA-N	317.776	3.714	30	50	DHEA	
CN1/C(=C\C(=O)c2ccccc2)Sc2cc3c(cc21)OCO3	103604727	YHDCTEUTFVQUEH-CAOOACKPSA-N	311.362	3.682	30	50	DHEA	
COc1ccc(NC(=S)N/N=C/c2ccc(Cl)cc2)cc1	71746	MQPIPHAAKGFVCN-LICLKQGHSA-N	319.817	3.669	30	50	DHEA	
CCCC(=O)Nc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1	207227	UYWJWMSHQGIEHI-UHFFFAOYSA-N	319.360	3.888	30	50	DHEA	
Cc1cccc2sc(/N=C(\O)CN3CCC(C)CC3)nc12	51448935	MZACTJLVYQISGA-UHFFFAOYSA-N	303.431	3.925	30	50	DHEA	
N#Cc1c(-c2ccoc2)cc(-c2c[nH]c3ccccc23)nc1N	71753278	QXYMRKZGCAXCRV-UHFFFAOYSA-N	300.321	3.944	30	50	DHEA	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/N	118919503	WTKFUDDFHUANII-BBNBXUPRSA-N	302.462	3.625	30	50	DHEA	
CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)N2CCCCCC2)n1	125194009	CJAUHRZWOJRZTP-ZIAGYGMSSA-N	319.474	3.707	30	50	DHEA	
C=C1CC(C)(c2noc(-c3ccc(P(C)(C)=O)cc3)n2)C1	904110923	JYOKHSFTAFLXKU-UHFFFAOYSA-N	302.314	3.592	30	50	DHEA	
Cc1ccc2cccc(OCCOc3ccccc3C#N)c2n1	4865988	YRGXFNRWGHNLMV-UHFFFAOYSA-N	304.349	3.873	30	50	DHEA	
C=C(Br)CSc1nc2ccc(OCC)cc2[nH]1	6187303	XDFGRPJBLACVDX-UHFFFAOYSA-N	313.220	3.962	30	50	DHEA	
O=C1C2=Cc3ccccc3O[C@]2(C(F)(F)F)Oc2ccccc21	6668634	OZASDNIVRBIAPI-INIZCTEOSA-N	318.250	3.996	30	50	DHEA	
C=C(C)COc1ccccc1CNCCNc1ncccc1C	55371385	DFBLPJJYWLNIFN-UHFFFAOYSA-N	311.429	3.547	30	50	DHEA	
O/N=C/c1ccc(OCc2ccccc2)c(Br)c1	100482859	SZVLOIZHANQTKJ-CXUHLZMHSA-N	306.159	3.836	30	50	DHEA	
O=C1CC(c2ccccc2)CC(=O)C1=CNC1CCCCCC1	100522974	QXSCANMFBZEKMJ-UHFFFAOYSA-N	311.425	3.899	30	50	DHEA	
N#Cc1c(N)c(-c2ccc(F)cc2)cn2c1nc1ccccc12	1395882	IDCVAWACWDPFFC-UHFFFAOYSA-N	302.312	3.747	30	50	DHEA	
Cc1ccc2[nH]cc(-c3cc(-c4ccc[nH]4)nc(N)c3C#N)c2c1	71751832	RXHPIPQSNOMJLE-UHFFFAOYSA-N	313.364	3.987	30	50	DHEA	
N#Cc1ccc2c(n1)CCC[C@H]2NCCc1ccc2occc2c1	2325807374	VPQZMVICTLQZBQ-GOSISDBHSA-N	317.392	3.909	30	50	DHEA	
CC(C)CNc1oc(COc2ccccc2Cl)nc1C#N	619791	IPEJGGJRSMNNNF-UHFFFAOYSA-N	305.765	3.847	30	50	DHEA	
C=CCc1ccccc1OCCCCN1C[C@H](C)O[C@H](C)C1	16247538	HAXWKPMSXNFRIR-CALCHBBNSA-N	303.446	3.683	30	50	DHEA	
CCCCCCCCn1nnn(Cc2ccccc2Cl)c1=N	102188551	YIQVNUJSWDZJHW-UHFFFAOYSA-N	321.856	3.621	30	50	DHEA	
CC1(C)OB(Cc2ccc(OC(F)(F)F)cc2)OC1(C)C	169747558	CQXXCBRJJSMFRZ-UHFFFAOYSA-N	302.101	3.759	30	50	DHEA	in-vitro
N#Cc1ccnc(NC(=O)C2CCC(c3ccccc3)CC2)c1	332492539	CPXPWCNJCVNYCO-UHFFFAOYSA-N	305.381	3.866	30	50	DHEA	
CCc1cccnc1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	456099845	BNEQCWBYQCQWBN-UHFFFAOYSA-N	323.396	3.945	30	50	DHEA	
CN(CCC(C)(C)C#N)Cc1nc2ccc(C(F)(F)F)cc2[nH]1	602893170	PTACBWHKVRCDJB-UHFFFAOYSA-N	324.350	3.953	30	50	DHEA	
Cc1c(C#N)c(N)c(C(=O)c2ccccc2)n1Cc1ccccc1	287064	QODHQXYIXRITOE-UHFFFAOYSA-N	315.376	3.530	30	50	DHEA	
Cc1c(C#N)c2ccccc2n1CC(=O)N[C@@H](C)c1ccccc1	2877666	SKARCTSKEUHJAB-AWEZNQCLSA-N	317.392	3.699	30	50	DHEA	
COc1ccc(/C=C/C(=O)c2cc(Cl)ccc2O)cc1OC	4252510	SEXLWJRBWGLPOV-ZZXKWVIFSA-N	318.756	3.959	30	50	DHEA	
CCCCc1nc(-c2cccc(Oc3cnc(C#N)cn3)c2)no1	122306968	ARYWJNJGCXEZNK-UHFFFAOYSA-N	321.340	3.533	30	50	DHEA	
Cc1cc(C)c(C#N)c(S[C@H]2CCc3ccccc3C2=O)n1	470168	FQNCZJPIBSWHKW-INIZCTEOSA-N	308.406	3.860	30	50	DHEA	
Cc1cc(C)cc(NC=C2C(=O)CC(c3ccco3)CC2=O)c1	1428646	LHVKDWHWDHALAN-UHFFFAOYSA-N	309.365	3.908	30	50	DHEA	
CC[C@@H](C(=O)O/N=C(\N)c1ccc(Cl)cc1)c1ccccc1	4845225	ZCPUDMKRQIIYCK-OAHLLOKOSA-N	316.788	3.697	30	50	DHEA	
C=CCSc1nc2ccccc2c2nc(-c3cccnc3)nn12	9939870	IXAVDBSUMCGIAO-UHFFFAOYSA-N	319.393	3.618	30	50	DHEA	
Cc1ccc(-n2ncc(C#N)c2/N=C/N2CCCCCC2)cc1	101076726	NRIDBKMYRRMJJH-XSFVSMFZSA-N	307.401	3.588	30	50	DHEA	
C[C@@H]1[C@@H](NC2=C(Cl)C(=O)c3ccccc3C2=O)CCC[C@H]1C	239433187	XIHNLWGDKYFEFG-SUNKGSAMSA-N	317.816	3.930	30	50	DHEA	
C[C@H](NC(=O)c1ccc2ncsc2c1)c1cccc(C#N)c1	610364461	UKGRULYNJXXPKA-NSHDSACASA-N	307.378	3.659	30	50	DHEA	
C=CCN(Cc1ccsc1)C(=O)c1cc(F)c(F)cc1F	1506405962	DQTZYQAJORFBFZ-UHFFFAOYSA-N	311.328	3.994	30	50	DHEA	
C=Cn1cc(CNCc2cccc(-c3ccc(C#N)s3)c2)cn1	225583263	TZEJOENOURWOPK-UHFFFAOYSA-N	320.421	3.874	30	50	DHEA	
C[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]32)C/C1=N\N	253500283	WYIOTJMJDQSAEQ-BOGMMTCCSA-N	318.505	3.951	30	50	DHEA	
CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C1(C)C	1775954900	VAWCWSZRDMXGPW-UHFFFAOYSA-N	323.242	3.574	30	50	DHEA	
C[C@H](CC(F)(F)F)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	457598026	BFUXMDKHXNCKNS-BPLDGKMQSA-N	324.346	3.873	30	50	DHEA	
C#Cc1ccc([C@@H]2CCCN2C(=O)c2ccncc2Cl)cc1	1875329086	DASNJCWZCGCCPY-KRWDZBQOSA-N	310.784	3.694	30	50	DHEA	
O=C(Nc1nccs1)c1ccccc1/N=C/c1ccncc1	2796120	WPGODKHYIAVUST-YBFXNURJSA-N	308.366	3.541	30	50	DHEA	
COc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccccc1F	4550164	RJDBARDHVCFJQS-LVZFUZTISA-N	313.328	3.732	30	50	DHEA	
N#Cc1ccc2[nH]c(-c3ccc(Oc4ncccn4)cc3)nc2c1	55327804	XCBNLMVLJFIBHR-UHFFFAOYSA-N	313.320	3.684	30	50	DHEA	
CC[C@]1(C)Cc2ccccc2C(=C2C(=O)CC(C)(C)CC2=O)N1	100505039	ZNRFBJBCSNPRSA-HXUWFJFHSA-N	311.425	3.670	30	50	DHEA	
C#C[C@](C)(CC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	104003	JKVAQZFSYDSZTR-MEBBXXQBSA-N	314.212	3.679	30	50	DHEA	
C=CC[C@H]1c2cccc(C(=O)O)c2C(=O)N1c1cccc(OC)c1	211889	PDSXXDOIHKJRKJ-INIZCTEOSA-N	323.348	3.671	30	50	DHEA	in-vitro
Cc1cc(/N=C/c2cc(Cl)cc(Br)c2O)no1	272841	FRNXLQPVVHOLGC-LHHJGKSTSA-N	315.554	3.855	30	50	DHEA	
C=CCn1c(SCCCSC)nnc1-c1ccoc1C	153684837	ZVGYQECBSXIQBN-UHFFFAOYSA-N	309.460	3.878	30	50	DHEA	
C#CCCCC(=O)N1CC[C@H](Cc2ccc(C(F)F)cc2)C1	365403590	GOILHHCQEBYQPN-OAHLLOKOSA-N	305.368	3.819	30	50	DHEA	
N#Cc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl	46373	UBFGNIBWIXMJHI-UHFFFAOYSA-N	321.163	3.883	30	50	DHEA	
Cc1ccc(-c2nnc(S)n2/N=C/c2sccc2C)cc1	1301888	RWNDBLPDJBCYPU-CXUHLZMHSA-N	314.439	3.794	30	50	DHEA	
C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1CO	191418092	GFQMFTYTNNNDAN-OAHLLOKOSA-N	302.418	3.527	30	50	DHEA	
C[C@H]1C(B2OC(C)(C)C(C)(C)O2)=CCCN1C(=O)OC(C)(C)C	725239588	XEIWJKALNGAJLH-LBPRGKRZSA-N	323.242	3.574	30	50	DHEA	
N#Cc1cccc(-c2nnc3n2CCCC[C@@H]3C2CCOCC2)c1	1616038179	IMLJLXUCPZOLFQ-QGZVFWFLSA-N	322.412	3.511	30	50	DHEA	
CC(C)(C)OC(=O)NC1CC2(C1)C[C@H]2B1OC(C)(C)C(C)(C)O1	1857779768	JDNGQJVTZAZLDV-VMBJYNEYSA-N	323.242	3.526	30	50	DHEA	
C#C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	3881628	VGJUOWGYQZYCII-TVWVXWENSA-N	314.469	3.674	30	50	DHEA	biogenic
C=C(C)COc1ccc(C(=O)N[C@@H](C)c2ccc(C)cn2)cc1	55225628	DDIMMZGBFWBGPV-HNNXBMFYSA-N	310.397	3.836	30	50	DHEA	
Cc1cccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1	100271088	HXKXQJIVPXCRNP-DEDYPNTBSA-N	305.381	3.543	30	50	DHEA	
Cc1ncsc1N=C(O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2	329969622	XLRLSFRBZNNYTO-NWDGAFQWSA-N	316.382	3.614	30	50	DHEA	
N#Cc1ccccc1C(=O)N1CCC(Cc2ccccc2F)CC1	82107129	GCGUSICXWLOUSK-UHFFFAOYSA-N	322.383	3.792	30	50	DHEA	
Cc1cc(N/C(O)=N/[C@H]2CC=CCC2)nn1C1CCCCC1	329507222	IYVOQCDLCHRQLX-AWEZNQCLSA-N	302.422	4.131	30	50	DHEA	
N#C[C@@H](c1ccc(Cl)nn1)c1ccccc1Br	168545	ONAWCCQCISRDPI-SECBINFHSA-N	308.566	3.548	30	50	DHEA	
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C#N)c1	471570	VKHGXCJFGWGUSX-LLVKDONJSA-N	300.745	3.618	30	50	DHEA	
C=C(C)Cn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C)C3	2555280	IZWMMCYDHMFZGM-SECBINFHSA-N	306.456	3.821	30	50	DHEA	
C=C(C)COc1ccc(NC(=O)NCCC[C@H]2CCOC2)cc1	96138863	RWWXPANZADMLLG-HNNXBMFYSA-N	318.417	3.580	30	50	DHEA	
N#CCc1cc(Br)c(Br)c(F)c1F	263624806	UKCONBUYRBFPIR-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
O=C(/C(=N/N=C\c1ccc[nH]1)c1ccccc1)c1ccccc1	4529792	WNAQOMTZMFKMPR-IFYUEPPWSA-N	301.349	3.721	30	50	DHEA	
OC(=Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CN2CCC1CC2	328586997	JRTVHYXUQQIBFU-JTQLQIEISA-N	315.200	3.629	30	50	DHEA	
O=C(Nc1ccccc1)/C(Cl)=N/Nc1ccc(Cl)cc1	95696963	YZQTTYMUOMQDEB-UYRXBGFRSA-N	308.168	3.943	30	50	DHEA	
CCOc1cccc2[nH]cc(CC(=O)Nc3ccccc3C#N)c12	187800586	DUSOVMSMQURRPM-UHFFFAOYSA-N	319.364	3.619	30	50	DHEA	
C[C@H](SCc1ccccc1)C(=O)N1CCCC(C)(C)[C@@H]1C#N	225494809	IRMTUHJZOSINFR-HOCLYGCPSA-N	316.470	3.849	30	50	DHEA	
C=CCCC(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1Cl	294721394	OEQMOVHKMZGORD-MRVPVSSYSA-N	306.715	3.897	30	50	DHEA	
Cc1c(CN[C@@H](CC(C)(C)C)c2cccnc2)cc(C#N)n1C	952981798	KNIACTGQHQJEDR-SFHVURJKSA-N	310.445	3.867	30	50	DHEA	
Cc1nc(SCC(=O)c2cccs2)c(C#N)c(C)c1C	187796	RKJZUILBUSXHGW-UHFFFAOYSA-N	302.424	3.915	30	50	DHEA	
C=CCOc1ccc(CNc2cccc(C(=O)O)c2)cc1OC	2861323	PYEHBWDHEDCXMS-UHFFFAOYSA-N	313.353	3.570	30	50	DHEA	
CC(=O)c1nn(-c2ccc(C)cc2)c(-c2ccccc2)c1C#N	169565426	ONKLJDDHZOXZRY-UHFFFAOYSA-N	301.349	3.922	30	50	DHEA	
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N	200448246	UJIUKBNBJLRRKB-SWBPCFCJSA-N	311.425	3.893	30	50	DHEA	in-vitro
N#Cc1ccc2c(c1)CCN2C(=O)c1scnc1C1CCCC1	333275035	GRIYJGYDIMFYKW-UHFFFAOYSA-N	323.421	3.875	30	50	DHEA	
C=C1C[C@@]2(C)CC[C@H]1[C@](O)([S@](=O)(=NC)c1ccccc1)C2	101142872	JPJZYPSHXATKHW-LHUKNYEISA-N	305.443	3.598	30	50	DHEA	
Cc1cc(/C(O)=N/[C@H](c2c(C)nn(C)c2C)C(F)(F)F)co1	331271882	GTYNLCWXRUDWOK-GFCCVEGCSA-N	315.295	3.547	30	50	DHEA	
COc1ccc2c(c1)C(=O)/C(=C/c1ccc(N(C)C)cc1)CC2	195230	OTMJVXHMSHSYDS-FOWTUZBSSA-N	307.393	3.974	30	50	DHEA	
COc1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1	169745974	XIWRWTPGYBTKPL-UHFFFAOYSA-N	310.202	3.661	30	50	DHEA	
C#C[C@]1(O)C=C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21CC	253499964	SIGSPDASOTUPFS-NJCPFYPZSA-N	310.437	3.659	30	50	DHEA	biogenic,in-vitro
CCc1ccc([C@H]2C[C@H](C(F)F)n3ncc(C#N)c3N2)cc1	2783794	GYMVGPYZBBRGNO-ZIAGYGMSSA-N	302.328	3.680	30	50	DHEA	
N#Cc1ccnc(-c2cccc(-c3ccn(CC4CC4)n3)c2)c1	20207333	PMEYAYGDTHRUSN-UHFFFAOYSA-N	300.365	3.894	30	50	DHEA	
O=C(/C=C/Nc1ccc(Br)cc1F)c1ccco1	616450	HQGKDVITOZEEJT-AATRIKPKSA-N	310.122	3.990	30	50	DHEA	
CCCCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C	2190581	PRRMXQFQNNOMJN-UHFFFAOYSA-N	319.474	3.908	30	50	DHEA	
Cc1ccc(C2(CNc3cc[nH]c(=N)c3C#N)CCC2)cc1C	2325861738	ZGXRPNKDTFVMML-UHFFFAOYSA-N	306.413	3.516	30	50	DHEA	
CCCCn1c(N)[n+](CC(=O)c2ccc(C)cc2)c2ccccc21	3121456	DSWQSRHNYJSUQY-UHFFFAOYSA-O	322.432	3.502	30	50	DHEA	
COc1ccc(OC)c(/C=N/Nc2nc3ccccc3s2)c1	4713261	KTBWWGFUWGNRND-LICLKQGHSA-N	313.382	3.760	30	50	DHEA	
Cc1ccc(N[C@@H]2CCCN(c3ccc(C#N)cn3)C2)cc1C	72165541	BROIMVGAFPIWAG-GOSISDBHSA-N	306.413	3.651	30	50	DHEA	
C[C@H](NCc1nnc(-c2ccccc2)s1)c1cccc(C#N)c1	182015844	BNBCXGFGFZBRNI-ZDUSSCGKSA-N	320.421	3.928	30	50	DHEA	
COc1ccc(OC)c(/C=C/C(=O)c2cc(Cl)ccc2O)c1	48057019	ZXXFHPHXZTUUKX-ZZXKWVIFSA-N	318.756	3.959	30	50	DHEA	
C=CCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC	2122337	CBADPFNEFBOHRP-UHFFFAOYSA-N	320.344	3.723	30	50	DHEA	
C=CCc1cc(Cl)ccc1OCCCCNCCCOC	3003731	OVJOMKAEYRONAA-UHFFFAOYSA-N	311.853	3.854	30	50	DHEA	
N#CCCN(Cc1cccnc1)Cc1cc(Cl)ccc1F	159060485	CWAGVAYNTKZUTA-UHFFFAOYSA-N	303.768	3.790	30	50	DHEA	
CC1(C)OB(c2cccc(Oc3ccc(C#N)cc3)c2)OC1(C)C	169975046	OFGNTCGFKUGJSJ-UHFFFAOYSA-N	321.185	3.650	30	50	DHEA	
O=C1CCCC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2	107411	BCISAGQVDVTEMC-IBGZPJMESA-N	306.365	3.978	30	50	DHEA	
O=C1CCCC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2	107415	BCISAGQVDVTEMC-LJQANCHMSA-N	306.365	3.978	30	50	DHEA	
Cc1n[nH]c2c1[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2	17945165	FFFWFAUFYUNHEL-INIZCTEOSA-N	307.397	3.919	30	50	DHEA	
CO[C@@H]1CCCCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N	170652906	WQHDXIRWBAJIDH-NWDGAFQWSA-N	313.323	3.732	30	50	DHEA	
Cc1ccc(/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C)c1	328640967	XRQZOBVNXKCGFO-HKUYNNGSSA-N	323.440	3.696	30	50	DHEA	
Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1	2770792	REFFUKDNGCERQY-QWHCGFSZSA-N	306.291	3.724	30	50	DHEA	
O=C1C[C@H](c2c(Cl)cccc2Cl)C2=C(CCCC2=O)N1	4520724	YEBRXIYKZFFYBA-MRVPVSSYSA-N	310.180	3.604	30	50	DHEA	
N#Cc1cc(Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])cc1C#N	4618251	FQMWYZWBYAWBPQ-UHFFFAOYSA-N	304.309	3.570	30	50	DHEA	
O=C(/C=C/c1cccnc1)c1ccc(NC(=O)c2ccco2)cc1	5016095	HJKAYUKMZZFFSD-BJMVGYQFSA-N	318.332	3.823	30	50	DHEA	
CN(C)Cc1ccc(Cn2ccnc2-c2cccc(C#N)c2)cc1	1857676379	RSWWEFKFIRWPQX-UHFFFAOYSA-N	316.408	3.532	30	50	DHEA	
CC(=O)/C=C/c1csc(Br)c1Br	334251	JAGDRGJVMMXUMA-NSCUHMNNSA-N	310.010	3.875	30	50	DHEA	
C=CC[C@@H]1Nc2ccccc2[C@H]1C[C@H](N)C(O)(CC=C)CC=C	5119958	SODVTAFKCBYHBN-AOIWGVFYSA-N	312.457	3.741	30	50	DHEA	
N#Cc1cnc(N2CC3(CCCCC3)[C@H]2c2ccccc2)cn1	334133936	WUIDRIRNHYYJJL-GOSISDBHSA-N	304.397	3.860	30	50	DHEA	
COc1cccc(-c2nc(/C=C/c3cnc(C#N)cn3)cs2)c1	1776005017	XNUMFRWCDUATFA-AATRIKPKSA-N	320.377	3.651	30	50	DHEA	
N#Cc1cc2c(nc1SCc1nc3ccccc3[nH]1)CCC2	377790	SGVHQPXUUGUOKO-UHFFFAOYSA-N	306.394	3.611	30	50	DHEA	
Cn1c([C@H]2CCCN2c2cccc(F)c2C#N)nc2c1CCCC2	275664846	PEADOEWODQTWHD-GOSISDBHSA-N	324.403	3.651	30	50	DHEA	
C[C@@]1(C#N)CCCN(Cc2ccc(CN3CCCCC3)s2)C1	670455478	BRVVOTRLIRNLFV-SFHVURJKSA-N	317.502	3.860	30	50	DHEA	
CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(C)cc1C	4851557	WUVMXKKXJWKGKM-UHFFFAOYSA-N	324.380	3.591	30	50	DHEA	
N#Cc1ccc(CN2CCC[C@H](c3nccn3CC3CC3)C2)cc1	82107851	PNOMBVQOOMRNDU-IBGZPJMESA-N	320.440	3.544	30	50	DHEA	
C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cccc2ccc(OC)cc12	239433653	YGTRLBKHIZAVEL-IEARMKQFSA-N	323.436	3.778	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2ccc3c(c2)CC[C@@H]3N(C)C)N=N1	952882246	SQDMISCUJJKCNF-KRWDZBQOSA-N	324.428	3.530	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2ccccc2OCC2CC2)N=N1	2325892452	NZEAAUROOUZJMW-UHFFFAOYSA-N	311.385	3.770	30	50	DHEA	
Oc1cccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c1	4132997	QUEGIWVIZDVOPL-AWQFTUOYSA-N	324.409	3.722	30	50	DHEA	
O=C(/C=C\c1cccn1-c1nccs1)c1ccc2c(c1)OCO2	8925731	APHWCXBXXFDYHW-PLNGDYQASA-N	324.361	3.559	30	50	DHEA	
CCOC(=O)C1=C(O)c2ccccc2C(=O)/C1=C\c1ccccc1	18211215	LLKCNCUVGBACFN-VBKFSLOCSA-N	320.344	3.799	30	50	DHEA	
N#CC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1	57294263	VWCPMNASPOCMNY-UHFFFAOYSA-N	305.425	3.699	30	50	DHEA	
Cc1cc(C(F)(F)F)c(Cl)cc1B1OC(C)(C)C(C)(C)O1	169904048	IGAWSWOTIHQGHP-UHFFFAOYSA-N	320.547	3.966	30	50	DHEA	
C[C@@H](SCc1ccccc1)C(=O)N1CCCC(C)(C)[C@H]1C#N	225494907	IRMTUHJZOSINFR-GDBMZVCRSA-N	316.470	3.849	30	50	DHEA	
CN(CC1CCC1)c1c(C#N)cnc2c(F)c(F)c(F)cc12	225540625	JTULFNUQTDZWMG-UHFFFAOYSA-N	305.303	3.760	30	50	DHEA	
Cc1oc(C#N)cc1C(=O)N1C[C@H](C)Oc2c(Cl)cccc21	281020416	SBLNTGIZGFHLSE-VIFPVBQESA-N	316.744	3.541	30	50	DHEA	
C=C[C@@H](C)OC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C	781579467	VXMCAXCKYDJTLB-LLVKDONJSA-N	318.804	3.803	30	50	DHEA	
N#C[C@@H]1CC[C@H](N2CC(Cc3cccc(Br)c3)C2)C1	888095900	DXBSMSXNZWGCBY-CJNGLKHVSA-N	319.246	3.616	30	50	DHEA	
COc1ccc(C=C2Cc3cc(OC)c(OC)cc3C2=O)cc1	2040751255	SMEWWRJXXCTEDX-UHFFFAOYSA-N	310.349	3.535	30	50	DHEA	
CC1=NN([C@@H](C#N)c2ccc(Br)cc2)C(C)(C)C1	4723605	FAUKGOBHZYNFGS-ZDUSSCGKSA-N	306.207	3.874	30	50	DHEA	
Cn1/c(=N/N=C/c2c(F)cccc2Cl)sc2ccccc21	12598793	GBBOHNMEQDINIS-DOSZSBMMSA-N	319.792	3.967	30	50	DHEA	
C=CCN(Cc1ccccn1)C(=O)c1ccc(OCC(=C)C)cc1	55393508	CTABCUUEUUHLAY-UHFFFAOYSA-N	322.408	3.865	30	50	DHEA	
C[C@H](C#CC(O)(c1ccccc1)c1ccccc1)N1CCCCC1	67319247	JKFHVWLPAOEMOY-LJQANCHMSA-N	319.448	3.800	30	50	DHEA	
C=CCC[C@@H](CN1CCCC1)Oc1ccc(-c2ccccc2)nn1	67804579	XYYFYJJGFPRXFD-SFHVURJKSA-N	323.440	3.953	30	50	DHEA	
Cc1cc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)c(C)s1	67854953	VALFLUIFLMZQBK-UHFFFAOYSA-N	306.394	3.943	30	50	DHEA	
CCCCCCCCCC(=O)CC(=O)N[C@H]1CCCCC1=O	72112659	JDVHCWYKJODEND-INIZCTEOSA-N	309.450	3.714	30	50	DHEA	
CC[N@+](C)(CC#C[C@](O)(c1ccccc1)C1CCCC1)C(C)C	239347228	MMJITLAKONISGX-FCHUYYIVSA-N	314.493	3.943	30	50	DHEA	
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCCCCF	242263465	XZLIKXDKPCEOAG-UHFFFAOYSA-N	306.768	3.975	30	50	DHEA	
Cn1c(N=C(O)CCCCC(=N)O)nc2cccc(Cl)c21	330032935	VEXRZNNWQSPLOX-UHFFFAOYSA-N	308.769	3.910	30	50	DHEA	
COC[C@H](Nc1nc(C)c2ccccc2n1)c1cccc(C#N)c1	2325865402	AYWDNKZWTHGJQA-SFHVURJKSA-N	318.380	3.610	30	50	DHEA	
N#CCCn1cc(/C=N/O)c(-c2ccc(-c3ccccc3)cc2)n1	5902886	CFDUAHOCHWNHJY-FYJGNVAPSA-N	316.364	3.939	30	50	DHEA	
CCn1cc(CN(C)Cc2cc(-c3ccccc3)no2)cc1C#N	72150200	JXOFTHULEJFTEM-UHFFFAOYSA-N	320.396	3.667	30	50	DHEA	
N#CCCn1cc(CNc2ccncc2F)c(-c2ccccc2)n1	192149968	RSTOFPVJZXNMJV-UHFFFAOYSA-N	321.359	3.610	30	50	DHEA	
CN(Cc1cscn1)C(O)=Nc1ncc(C(C)(C)C)s1	331241627	KEKCMTOVIZMGBX-UHFFFAOYSA-N	310.448	3.575	30	50	DHEA	
C/C(=N/N1CCN(Cc2ccc(C)cc2)CC1)c1ccccc1	19773184	FTTLXAVQXDBROA-UZYVYHOESA-N	307.441	3.537	30	50	DHEA	
C[C@@H](/N=C(/O)C(F)F)c1nc(-c2ccc(C#N)cc2)cs1	328587347	GAVVKVJJNCVHJP-MRVPVSSYSA-N	307.325	3.964	30	50	DHEA	
CN(C(=O)CC#N)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	368411638	ISJNSISVXOQFTK-KGLIPLIRSA-N	310.319	3.714	30	50	DHEA	
CCOC(=O)c1ccc(/N=C/c2ccc([N+](=O)[O-])s2)cc1	477352	UHLOGHNSWGANRG-OQLLNIDSSA-N	304.327	3.584	30	50	DHEA	
C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cccs1)C2	2499276	PPXOABTYJCOVCN-NSHDSACASA-N	315.394	3.640	30	50	DHEA	
O=C(Nc1ccc(F)cc1F)c1c(F)c(F)c(F)c(F)c1F	2738968	ORWAJTLSYXGETC-UHFFFAOYSA-N	323.167	3.913	30	50	DHEA	
C/C(=N\N)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O	4812914	CHDHDNBOFXEBDX-UFFVCSGVSA-N	311.772	3.531	30	50	DHEA	
COc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc(C)c2)c1	5969754	YYABULIWNAUGTJ-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
NC(=O)c1cccc2c1-c1ccccc1/C2=N/Nc1ccccc1	33747233	HQLYBNHYOYXMJH-NMWGTECJSA-N	313.360	3.630	30	50	DHEA	
C=CCOc1ccc(COc2ccc(CC(=O)O)cc2C)cc1	2546351	NKDPJBRAPOFDMO-UHFFFAOYSA-N	312.365	3.766	30	50	DHEA	
CCCCC(=O)C[n+]1c(-c2ccccc2)n(C)c2ccccc21	5501815	UJJWECSKCQKAOW-UHFFFAOYSA-N	307.417	3.892	30	50	DHEA	
O=C1C[C@@H](c2ccccc2O)CC2=C1C=Nc1ccccc1N2	100128967	OAQKKMVKLDGDNM-LBPRGKRZSA-N	304.349	3.921	30	50	DHEA	
COc1ccc(/C=C2\Oc3ccc(Cl)cc3C2=O)cc1O	299738340	XPFJCCMTWGQAIK-CHHVJCJISA-N	302.713	3.670	30	50	DHEA	
Cc1c(C#N)cccc1NC(=O)N1Cc2ccccc2O[C@@H](C)C1	368394753	WTPXBJRLURLQHJ-ZDUSSCGKSA-N	321.380	3.682	30	50	DHEA	
C#CCOc1ccccc1CNCCc1ccc2occc2c1	2325825169	HDQTVNKVTBPSDT-UHFFFAOYSA-N	305.377	3.777	30	50	DHEA	
COc1ccccc1/C=C/C=N\N1CCN(c2ccccc2)CC1	4482732	TYKRZRJFFMEOJU-ZOYVTTDVSA-N	321.424	3.516	30	50	DHEA	
Cc1ccnc(-c2cc(C)cc[n+]2CC(=O)c2ccccc2)c1	15781528	KAASQBHMDRNJMP-UHFFFAOYSA-N	303.385	3.536	30	50	DHEA	
C=CCOc1ccccc1NC(=O)N(C)CCC[C@H]1CCCO1	96148860	RHCMGERGXJVHGW-HNNXBMFYSA-N	318.417	3.674	30	50	DHEA	
CC[C@H](CC#N)Nc1nc(-c2cccnc2)nc2ccccc12	762815753	IJMPGDBGEWJOKK-CQSZACIVSA-N	303.369	3.796	30	50	DHEA	
C=C[C@H](C)OC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C	781579469	VXMCAXCKYDJTLB-NSHDSACASA-N	318.804	3.803	30	50	DHEA	
N#Cc1cc(CNCC[C@@H](c2ccc(F)cc2)c2ccco2)c[nH]1	952966273	INIJTUDCGZMJHZ-SFHVURJKSA-N	323.371	3.930	30	50	DHEA	
CC(Nc1ccc(CC#N)cc1)=C1C(=O)c2ccccc2C1=O	2561922	MAMRRESMFRZJBK-UHFFFAOYSA-N	302.333	3.518	30	50	DHEA	
CCc1nc(N2CCC(C)CC2)c(C#N)c2c1COC(C)(C)C2	20255813	SZXUVKATLUDFKT-UHFFFAOYSA-N	313.445	3.603	30	50	DHEA	
N#Cc1c(F)c(Br)cc(Br)c1Cl	36532898	PFLZHKGNMDGWTB-UHFFFAOYSA-N	313.351	3.876	30	50	DHEA	
C[Si](C)(C)C#Cc1ccc(I)cc1	169744515	WOOFAKCCTQIPLK-UHFFFAOYSA-N	300.215	3.520	30	50	DHEA	
C=C(C)CN1CCC(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1	170621960	FFNXZBDWQWGOMU-SJORKVTESA-N	320.521	3.996	30	50	DHEA	
Cc1ccc(N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)c(C)c1	173552526	BUQPRXXCJXZJFC-UHFFFAOYSA-N	318.380	3.862	30	50	DHEA	
Cc1sc(N=C(O)[C@@H]2CCO[C@H]2c2ccnn2C)c(C)c1C	328630258	PRILGRSCOXLSHK-TZMCWYRMSA-N	319.430	3.773	30	50	DHEA	
CC1(C)OB(c2ccc(Oc3cccc(C#N)c3)cc2)OC1(C)C	197449432	DIVFGBZDINSNDU-UHFFFAOYSA-N	321.185	3.650	30	50	DHEA	
Cc1ccccc1OCc1nc(C#N)c(N2CCCCCC2)o1	108548	HGTKQBSXANHXAG-UHFFFAOYSA-N	311.385	3.814	30	50	DHEA	
Cc1cc(C(=O)CSc2ncccc2C#N)c(C)n1C1CC1	7052084	IDMVYJYSCSOSDY-UHFFFAOYSA-N	311.410	3.682	30	50	DHEA	
C[C@H]1C/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2=C1CCC2	43762019	BKUVJDVVMMOMQC-OHTIZWCHSA-N	316.317	3.791	30	50	DHEA	
N#Cc1cccc(-c2nccn2CCSc2ccccn2)c1	77354657	PMHNNMYMZGDOGS-UHFFFAOYSA-N	306.394	3.609	30	50	DHEA	
N#Cc1cccc(CS(=O)(=O)Cc2ccccc2C2CC2)c1	341494872	YDMJGZSPAVXVNO-UHFFFAOYSA-N	311.406	3.551	30	50	DHEA	
CCOC(=O)[C@H](C)[C@@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1	953019024	BICUCHDJTUIKRJ-CHWSQXEVSA-N	308.227	3.544	30	50	DHEA	
N#Cc1nc(Cc2ccsc2)oc1N1Cc2ccccc2C1	1857798974	IJIHBKREQUZIFQ-UHFFFAOYSA-N	307.378	3.719	30	50	DHEA	
CCCc1cc(N2CCCC2)n2c(nc3ccccc32)c1C#N	409568	GPTARUSQGGUAFX-UHFFFAOYSA-N	304.397	3.912	30	50	DHEA	
C=CCn1c(SCC(=C)C)nc2sc3c(c2c1=O)CCC3	2182994	CQDCLUMJTBQCKR-UHFFFAOYSA-N	318.467	3.801	30	50	DHEA	
COc1ccc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)c(C)c1	71614729	ZGCCGIDQUXXMJO-UHFFFAOYSA-N	304.353	3.515	30	50	DHEA	
CCCCCCCCCCCC[C@@H](C)N(CCO)CCO	95793905	VIGPKMHSXLRLJO-GOSISDBHSA-N	301.515	3.973	30	50	DHEA	
CC(C)(C)N1C(c2ccccc2)=NO[C@H]1C#C[Si](C)(C)C	195529822	MUPUZYFQUYSBAT-HNNXBMFYSA-N	300.478	3.686	30	50	DHEA	
Cc1cc(C)c(N/C(O)=N/[C@H](C)c2ncc(C)s2)c(C)n1	331249379	XRPAWBHUXBCPHF-GFCCVEGCSA-N	304.419	3.859	30	50	DHEA	
N#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCC(=O)O	240291	VLGQZPVTWBABQN-UHFFFAOYSA-N	310.378	3.674	30	50	DHEA	
N#C[C@]1(Br)C(=O)c2ccccc2CC12CCCC2	1225880	JTAXEYUUGYEEJS-HNNXBMFYSA-N	304.187	3.643	30	50	DHEA	
N/N=C(/c1ccccc1)c1nocc1Cc1ccc(Cl)cc1	221527713	GLNJYEUHVYMYPX-SILNSSARSA-N	311.772	3.630	30	50	DHEA	
CC[N@@+](C)(CC#C[C@@](O)(c1ccccc1)C1CCCC1)C(C)C	239347231	MMJITLAKONISGX-YADHBBJMSA-N	314.493	3.943	30	50	DHEA	
Cc1ccc(-c2ccc(C)c[n+]2CC(=O)c2ccccc2)nc1	8701062	IHISLPKJTJBWRC-UHFFFAOYSA-N	303.385	3.536	30	50	DHEA	
COc1cc(/C=N/O)cc(Cl)c1OCc1ccc(F)cc1	16195551	YVMIZLTVVKZIAI-QGMBQPNBSA-N	309.724	3.875	30	50	DHEA	
CCN1CCN(/C(S)=N/c2ccc(Cl)cc2Cl)CC1	59897746	OCCRRKDKGQRRNF-UHFFFAOYSA-N	318.273	3.548	30	50	DHEA	
COc1cccc([C@@H]2CCCCN2Cc2cc(C#N)n(C)c2C)c1	72447844	SDTDINVBOXERLN-FQEVSTJZSA-N	323.440	3.941	30	50	DHEA	
C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCNC2	299780313	ABMFJHXCDDYWRC-UHFFFAOYSA-N	313.422	3.608	30	50	DHEA	
CC(/C=C/c1ccccc1)=N\NC(=S)NC1CCCCC1	5020137	MDUSDIKFPKQKPQ-OGMPJXADSA-N	301.459	3.873	30	50	DHEA	
Cc1ccsc1/C=N/n1c(S)nnc1-c1ccccc1F	5982092	KINZHKBTTCBKHK-LZYBPNLTSA-N	318.402	3.625	30	50	DHEA	
CCc1ccccc1N/C(S)=N/Cc1ccc2c(c1)OCO2	8828867	IYJRNFZYWPULCC-UHFFFAOYSA-N	314.410	3.876	30	50	DHEA	
C#CCN(Cc1ccco1)Cc1nc(-c2cccs2)oc1C	19788153	FHJPSFQHQFNEOL-UHFFFAOYSA-N	312.394	3.940	30	50	DHEA	
C=CCN(Cc1ccccc1Cl)C(=O)c1cc(C2CC2)n[nH]1	55154919	KTGHVJOQKMCKEV-UHFFFAOYSA-N	315.804	3.769	30	50	DHEA	
CN1C(=O)c2ccccc2[C@@H]1[C@H]1CCCc2ccccc2/C1=N/O	102314331	YCMCSQQNSJVIAA-WSUGQWEGSA-N	320.392	3.644	30	50	DHEA	
N#Cc1nc([C@@H]2C[C@@H]2c2ccc(F)cc2)oc1N1CCCCC1	1775976769	UOVHRRIBPQSLLI-HUUCEWRRSA-N	311.360	3.947	30	50	DHEA	
Cc1ccc(/C=N/n2c(S)nnc2C2CCCCC2)s1	1250359	IIKSNYJHBPELFK-OQLLNIDSSA-N	306.460	3.867	30	50	DHEA	
O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1O	4070532	HXPUNVAMLYFSLK-ORCRQEGFSA-N	316.740	3.713	30	50	DHEA	
Clc1cccc(Cl)c1CO/N=C1\CCCc2nonc21	4594205	OVGFUKZXWNJCPC-LFIBNONCSA-N	312.156	3.634	30	50	DHEA	
CC(/C=C/c1ccco1)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	12342929	DFBJHRYKDSSYMD-IJPYFETJSA-N	316.273	3.597	30	50	DHEA	
C[C@H]1CCC[C@@H](C)[C@@H]1NC1=C(Cl)C(=O)c2ccccc2C1=O	245311072	MARHGYQSTZJHAI-HBYGRHMLSA-N	317.816	3.930	30	50	DHEA	
C/C(O)=N/[C@H](c1nc(C2CCCCC2)no1)C1CCOCC1	328626121	LJPVDZXBXRJEOK-AWEZNQCLSA-N	307.394	3.561	30	50	DHEA	
C#CCCC1(CCC(=O)N2CCC[C@@H]2Cc2ccccc2)N=N1	952881523	NGQWVKZKMWDQSH-QGZVFWFLSA-N	309.413	3.576	30	50	DHEA	
CN(C)Cc1ccc(-c2ccc(C(C)(C)C#N)cc2)c(CO)c1	2356139317	WEVNNJVECIPAFI-UHFFFAOYSA-N	308.425	3.709	30	50	DHEA	
CC1(C)CCSc2ccc(C#Cc3ccc(C(=O)O)cn3)cc21	24890	IQIBKLWBVJPOQO-UHFFFAOYSA-N	323.417	3.953	30	50	DHEA	world
C=CCc1cc(C)ccc1OC[C@@H](O)Cn1cnc2ccccc21	151994	JJMJHCHCCVECEV-KRWDZBQOSA-N	322.408	3.513	30	50	DHEA	
C=C(C)CN(CC)[C@H]1CCC(=O)N(Cc2ccccc2F)CC1	12150240	BLBXSRLDCJOLLY-KRWDZBQOSA-N	318.436	3.605	30	50	DHEA	
CC[C@@H](C)n1ncc(N=C(O)N2CCC(F)(F)C2)c1C1CC1	329225481	GIGBJBJXOJXYBH-SNVBAGLBSA-N	312.364	3.618	30	50	DHEA	
CC(C)(C)c1ccc(C#N)c(N2CCC[C@H]2[C@H]2CCCOC2)n1	591955993	QKSPGEREJMZYRN-HOTGVXAUSA-N	313.445	3.646	30	50	DHEA	
COc1ccc(Cl)c2c1CCC[C@H]2N(C)CCO[C@H](C)C#N	844443045	HVRLPLUCUVZHNL-IUODEOHRSA-N	322.836	3.586	30	50	DHEA	
C#CCCC1(CCC(=O)NCC2CC3(C2)C[C@H]2CC[C@H]3C2)N=N1	2325899445	DWKFFRPDBGURSG-VUGNNNGISA-N	313.445	3.675	30	50	DHEA	
COc1cccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)c1	5981740	NHZHLWWEUGGJOJ-WOJGMQOQSA-N	324.409	3.807	30	50	DHEA	
CC(C)(C)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1	169936608	DKJROSQAUOLZPM-UHFFFAOYSA-N	323.673	3.527	30	50	DHEA	
CCN(C(=O)c1ccnc(C#N)c1)c1cccc2ccccc12	193003147	LFIVEMLKXBHHFV-UHFFFAOYSA-N	301.349	3.773	30	50	DHEA	
CC(C)C(=O)Nc1cccc(-c2noc(C3(C#N)CCCC3)n2)c1	273773902	RMFGPPXJGWMYRY-UHFFFAOYSA-N	324.384	3.666	30	50	DHEA	
Cc1cc(/C=C2/C[C@@H](C(=O)O)c3ccccc3C2=O)ccc1C#N	328593104	ACKBVGPVHYHKSQ-IDGGIGOKSA-N	317.344	3.705	30	50	DHEA	
C[C@@H](NCc1ncc(Br)s1)c1ccc(C#N)cc1	330032044	HKVZILQZAXMOQV-SECBINFHSA-N	322.231	3.628	30	50	DHEA	
C#CCCC1(CCC(=O)Nc2ccccc2N2CCCC2)N=N1	952882568	VSUOTUJMTKFYKQ-UHFFFAOYSA-N	310.401	3.581	30	50	DHEA	
C=CCNC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1	4050034	YMHZSNFUTMPVJO-UHFFFAOYSA-N	314.366	3.662	30	50	DHEA	
COc1ccc(CC/N=C(\S)Nc2ccc(OC)cc2)cc1	8683717	BCOIISAPWKVIGT-UHFFFAOYSA-N	316.426	3.644	30	50	DHEA	
O=C1N/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1ccccc1	13476747	GVEAYMMCIZSWDL-CQSZACIVSA-N	316.813	3.802	30	50	DHEA	
CN1C(=O)c2ccccc2[C@@H]1[C@@H]1CCCc2ccccc2/C1=N/O	102314335	YCMCSQQNSJVIAA-YVYXNRRGSA-N	320.392	3.644	30	50	DHEA	
CN(C)/C=C/C=C/C=C1/CCC/C(=C\C=C\C=C\N(C)C)C1=O	254318306	PNSKXRVMCVFMQJ-YIMBKYOYSA-N	312.457	3.855	30	50	DHEA	
Cc1ccc(F)c(N=C(O)C2CCN([C@@H]3CCSC3)CC2)c1	328592664	YHHLVQOUODPPAU-CQSZACIVSA-N	322.449	3.940	30	50	DHEA	
O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc21	742435429	AWAGCJROMHQZCE-ZSOIEALJSA-N	301.685	3.864	30	50	DHEA	
CCc1cc(C#N)ccc1NC(=O)N(C)CCC[C@H]1CCCO1	95502489	JFMUAVDCQRBPGJ-INIZCTEOSA-N	315.417	3.544	30	50	DHEA	
N#Cc1cccc(/C(O)=N/C[C@H]2CCO[C@@H]2c2ccccc2)c1	328611010	JYAXVZIBYXCMRR-QZTJIDSGSA-N	306.365	3.641	30	50	DHEA	
Cc1nc(C2CC2)oc1/C(O)=N/[C@](C)(C1CC1)C(F)(F)F	329784975	PRJDHGKYZDSSRM-CYBMUJFWSA-N	302.296	3.896	30	50	DHEA	
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC(C)(C)c1cccc(C)c1	334089722	ZDKXAYRLPLHYEH-NVXWUHKLSA-N	316.445	3.511	30	50	DHEA	
C=C1C[C@]2(C)CC[C@H]1[C@](O)(C[S@@](=O)(=NC)c1ccccc1)C2	71786693	BEDOXNPCQZRUQI-FOUBCARRSA-N	319.470	3.641	30	50	DHEA	
Cc1ccc(CC(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cn1	187289045	YEMAKUNMCVVPLY-UHFFFAOYSA-N	313.445	3.547	30	50	DHEA	
COc1ccc([C@@H]2C[C@H]2CC(=O)N(C)c2ccccc2C#N)cc1	598819272	NMDMQAZRDMQFMD-WMZOPIPTSA-N	320.392	3.723	30	50	DHEA	
N#CCc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1	37323	UWAPJRIRMCCBLF-UHFFFAOYSA-N	316.360	3.923	30	50	DHEA	
Cc1ccccc1-c1nnc(SCc2ccc(C#N)cc2)n1C	1049287	JQXUSHPMITXTBO-UHFFFAOYSA-N	320.421	3.955	30	50	DHEA	
C/N=C(/NN=C1C=C(C(C)C)C(=O)C(C(C)C)=C1)c1ccccc1	4834132	MGGIUCNNFCDACS-UHFFFAOYSA-N	323.440	3.756	30	50	DHEA	
O=C(/C=C/Nc1cccc(O)c1)c1ccc(Br)cc1	18128083	YJEBKUCZBHQMBX-CMDGGOBGSA-N	318.170	3.963	30	50	DHEA	
COc1cc(SC)ccc1NC(=O)c1cc(C#N)cs1	192702587	BHCJRNRXMLJHCU-UHFFFAOYSA-N	304.396	3.603	30	50	DHEA	
CCC[C@]1(COC)CCCN1C(=O)Nc1ccc(CC#N)cc1	194585596	IXQLEVZFPUJVFZ-GOSISDBHSA-N	315.417	3.566	30	50	DHEA	
Cc1ccc(NC(=O)CCN[C@H]2CCC[C@@H](C#N)C2)c(Cl)c1	225575943	XNSAPTBKDGFNKV-KGLIPLIRSA-N	319.836	3.649	30	50	DHEA	
N#Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O	445226	IDUIJQUMAWSKLT-UHFFFAOYSA-N	313.316	3.517	30	50	DHEA	
CC1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1	1170892	ZOOFBTWTCRPFRH-UHFFFAOYSA-N	303.405	3.959	30	50	DHEA	
CCCC/N=C(\c1ccccc1)C1C(=O)c2ccccc2C1=O	102296514	IHFOZWPURMOAOM-DYTRJAOYSA-N	305.377	3.971	30	50	DHEA	
Cc1ccc2c(c1)CC[C@@H](C(O)=Nc1cnn(CC(C)C)c1)O2	330006647	FFFPQGWFUNGBIQ-KRWDZBQOSA-N	313.401	3.829	30	50	DHEA	
C=CCc1ccccc1OC[C@H](O)Cn1c(C)nc2ccccc21	318737	SELFMZFUAAIBEZ-QGZVFWFLSA-N	322.408	3.513	30	50	DHEA	
Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(F)c2)cc1	6556822	PTJWEWBHXVTXKB-VCHYOVAHSA-N	312.373	3.937	30	50	DHEA	
C=CCOc1ccccc1OCCCCN1C[C@H](C)O[C@@H](C)C1	20653532	XNCYFUOYDVEMBK-IRXDYDNUSA-N	319.445	3.520	30	50	DHEA	
C[C@@H]1/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC[C@H]1C	32450992	SBGRMEQAXBQFOZ-ULVWRBEMSA-N	306.322	3.727	30	50	DHEA	
FC(F)(F)c1ccc(OC(C(F)(F)F)C(F)(F)F)nc1	169725722	FHHRBDCSENYJRA-UHFFFAOYSA-N	313.119	3.972	30	50	DHEA	
C/C(=N\Nc1nc2ccccc2n1C)c1ccc2c(c1)CCC2	222099350	YJGMYJXWZKOZBQ-FYJGNVAPSA-N	304.397	3.898	30	50	DHEA	
C#CCn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21	317488	CPMAYZAGQGWDSZ-UHFFFAOYSA-N	311.340	3.737	30	50	DHEA	
COc1ccc(/C=N/Nc2nnc(Cl)c3ccccc23)cc1	4859797	GEIHLWTVUQSSCS-VCHYOVAHSA-N	312.760	3.738	30	50	DHEA	
Cc1nc2c(s1)CCC[C@@H]2C/N=C(/O)[C@H]1CC12CCOCC2	328623442	JECXBYVMYGMKAD-CHWSQXEVSA-N	320.458	3.645	30	50	DHEA	
O[C@@](CC#CCN1CCCCC1)(c1ccccc1)C1CCCC1	2267276	JCTUOTWJAALIQX-NRFANRHFSA-N	311.469	3.944	30	50	DHEA	
COc1cc(C#N)ccc1OCc1cccc(Br)c1	4825649	FGLIRLRXZNMZEB-UHFFFAOYSA-N	318.170	3.908	30	50	DHEA	
O/C(CN1CCCCC1)=N\c1nnc(C2CCCCC2)s1	20160554	NLDIQLPSZGEULP-UHFFFAOYSA-N	308.451	3.660	30	50	DHEA	
C#CCCC1(CCC(=O)N[C@@H](C)c2cc3ccccc3o2)N=N1	952881756	PYGNAGUVRYYJTE-ZDUSSCGKSA-N	309.369	3.966	30	50	DHEA	
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C#N)c1	471569	VKHGXCJFGWGUSX-NSHDSACASA-N	300.745	3.618	30	50	DHEA	
Cc1ccc([C@@H]2OCCC[C@@H]2CNc2nc(C)cc(C#N)n2)cc1	288307305	IKMAZRMFQZVZCD-AEFFLSMTSA-N	322.412	3.545	30	50	DHEA	
Cc1ncc2n1C[C@@H](C(O)=Nc1cccc(C(F)F)c1)CC2	328598141	KJJAZIDLBJYYLK-LBPRGKRZSA-N	305.328	3.980	30	50	DHEA	
Cc1cccc(-c2ncc(CN3CCC[C@@](C)(C#N)C3)cn2)c1	670444279	RGVYFGFRDJIVNZ-IBGZPJMESA-N	306.413	3.578	30	50	DHEA	
C/C(=N\Nc1ncccn1)c1ccc2c(c1)-c1ccccc1C2	2325728091	SIQTWOFZKAEKMS-LPYMAVHISA-N	300.365	3.884	30	50	DHEA	
CCN(CC)CCOc1ccccc1/C=C/C(=O)c1ccncc1	5194415	OKYYGGTXZDRQIJ-MDZDMXLPSA-N	324.424	3.698	30	50	DHEA	
Cc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1	5942765	FBJPIGNBOMQVDD-REZTVBANSA-N	313.235	3.961	30	50	DHEA	
CC(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl	169746597	IAMUOVIODWEDKY-UHFFFAOYSA-N	314.593	3.566	30	50	DHEA	in-vitro
CC1(C)OB(c2ccc(Oc3ccc(C=O)cc3)cc2)OC1(C)C	170012991	IDJVHXFOOPZUEP-UHFFFAOYSA-N	324.185	3.591	30	50	DHEA	
Cc1ccc(N2CCN(/N=C/c3cccc(Cl)c3)CC2)cc1	136690	ZBLPVWWCRJTYCZ-XSFVSMFZSA-N	313.832	3.805	30	50	DHEA	
Cc1cc(C)c[n+](CC(=O)Nc2cc(Cl)ccc2Cl)c1	2529536	PSVCGCWKQZXURH-UHFFFAOYSA-O	310.204	3.536	30	50	DHEA	
Cc1ccc(/C=C2\S/C(=N\c3ccc(O)cc3)NC2=O)cc1	5375992	XYSYDMMREDCLCR-GDNBJRDFSA-N	310.378	3.592	30	50	DHEA	
CC(/C=N/n1c(-c2ccncc2)n[nH]c1=S)=C\c1ccco1	5828988	XYJSWBOEIHUVAF-ATELFFGISA-N	311.370	3.533	30	50	DHEA	
CC(C)Oc1ccc(CN(CCC#N)Cc2ccco2)cc1O	2325794711	OGAPZVOVXRYOSX-UHFFFAOYSA-N	314.385	3.688	30	50	DHEA	
COc1ccc(Cl)cc1NC(=O)c1ccc(C#N)cc1F	4842871	PPMOCTNPTOWJKM-UHFFFAOYSA-N	304.708	3.612	30	50	DHEA	
CO/N=C\c1ccc(Oc2cccc(C)c2C)c([N+](=O)[O-])c1	5815602	WIFQRCJQDIBQFC-YVLHZVERSA-N	300.314	3.984	30	50	DHEA	
CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc(Cl)cc1	100005777	QAHCPUGALINKMY-CYVLTUHYSA-N	312.760	3.531	30	50	DHEA	
C=CCOc1ccc(/C=C2/SC(=S)N=C2O)cc1OC	2911466	GYQWMQHQNWAKJF-XYOKQWHBSA-N	307.396	3.589	30	50	DHEA	
C=CCN(CC=C)[C@H]1CCC(=O)N(Cc2ccccc2C)CC1	12099247	CLYXLSGBLFGUHN-IBGZPJMESA-N	312.457	3.550	30	50	DHEA	
C=C(C)COc1cccc(C(=O)N(C)CCC2CCOCC2)c1	55370001	VVXNFAPWJOTVNV-UHFFFAOYSA-N	317.429	3.530	30	50	DHEA	
COc1ccc(C[S@](=O)Cc2ccccc2Cl)cc1C#N	234935271	MKNMBWPIYCAFMJ-NRFANRHFSA-N	319.813	3.669	30	50	DHEA	
Cc1nsc(N[C@H]2CC[C@H](Nc3ccccn3)CC2)c1C#N	333757123	YWLGMQHRJVPPEF-JOCQHMNTSA-N	313.430	3.553	30	50	DHEA	
N#Cc1c2c(c(N3CCCC3)n3c1nc1ccccc13)CCCC2	537684	PEQNUCDHZOQYEC-UHFFFAOYSA-N	316.408	3.838	30	50	DHEA	
COc1cc([N+](=O)[O-])ccc1N/C=C/C(=O)c1ccc(C)cc1	4758539	QKXYITOUIRNEKD-MDZDMXLPSA-N	312.325	3.720	30	50	DHEA	
O=C(/C=C(\NCc1ccccc1)C(F)F)c1ccccc1O	4955231	YOPHJVJCLFVNHP-UVTDQMKNSA-N	303.308	3.514	30	50	DHEA	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cscc1C#N	340558379	QUFPIJQIFSYGDT-AAEUAGOBSA-N	314.385	3.777	30	50	DHEA	
N#Cc1ccccc1COc1ccc(C=O)cc1Br	454265	MBIUEJCNUUCHIV-UHFFFAOYSA-N	316.154	3.712	30	50	DHEA	
CSc1ccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)cc1	1249311	XSYAYWXNIIGLLT-OQLLNIDSSA-N	316.411	3.805	30	50	DHEA	
Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(F)cc2)c1	5981734	WVIWOLJCOCCHBM-VCHYOVAHSA-N	312.373	3.937	30	50	DHEA	
N#Cc1c(-n2cccc2)sc2c1CCN(c1cccc(F)n1)C2	20385761	FFMYHKVASPLVBS-UHFFFAOYSA-N	324.384	3.507	30	50	DHEA	
C=CCC[C@H](CN(C)Cc1cccnc1)Oc1cc(C)ccn1	67514745	YXCIOAAKFVDFKL-GOSISDBHSA-N	311.429	3.631	30	50	DHEA	
Cc1nn(-c2ccccc2)c(C)c1/C=C/c1cc(C#N)ccn1	328594255	JVGOHRXVSTUTLT-CMDGGOBGSA-N	300.365	3.926	30	50	DHEA	
Cc1c(C#N)c(N[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)nc2ccccc12	896356225	FRFOTEQLILGEGZ-IBEGIYRJSA-N	323.396	3.509	30	50	DHEA	
N/C(=N\OC(=O)c1ccccc1-c1ccccc1)c1ccccc1	5013670	UQIWBFKLVRHISJ-UHFFFAOYSA-N	316.360	3.831	30	50	DHEA	
CCCc1nc(C)c(Cn2cc(-c3cccc(C#N)c3)nn2)s1	91724578	HSZHVNIMROHBIC-UHFFFAOYSA-N	323.425	3.583	30	50	DHEA	
C[C@@H]1Oc2ccc(Cl)cc2N(Cc2ccc(C#N)cc2)C1=O	215941381	SNQMVBLXHPYBKC-NSHDSACASA-N	312.756	3.526	30	50	DHEA	in-vitro
Cc1cc(N/C(O)=N/[C@@H]2CC=CCC2)nn1C1CCCCC1	329507224	IYVOQCDLCHRQLX-CQSZACIVSA-N	302.422	4.131	30	50	DHEA	
CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1c(F)cccc1Cl	4520689	LERCTZBYUSKOAH-VIFPVBQESA-N	321.779	3.726	30	50	DHEA	
N#Cc1c(C2CC2)cc(-c2cc(CN3CCCC3)cs2)nc1N	71764478	PRXLWLXGCBENJQ-UHFFFAOYSA-N	324.453	3.737	30	50	DHEA	
O=C(O)c1ccc(/C=C2\Oc3ccc(Cl)cc3C2=O)cc1	168681147	KMPQXTGIPPEMBN-AUWJEWJLSA-N	300.697	3.654	30	50	DHEA	
CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cccc(C)c1	170618265	ZQNLRDKIGVWHST-APWZRJJASA-N	324.376	3.907	30	50	DHEA	
N#Cc1ccc(-c2nnc3n2CCCC[C@H]3C2CCOCC2)cc1	1616039081	WFCKNWUYGDEURK-KRWDZBQOSA-N	322.412	3.511	30	50	DHEA	
COc1ccc(F)c2c1CCN([C@H](C)c1cccc(C#N)c1)C2	1875360199	BAHRCAUMTDTJHD-CYBMUJFWSA-N	310.372	3.825	30	50	DHEA	
Cc1ccc(NC(=O)c2ccc(C#CC(C)(C)O)cc2)cc1C	444964	OCTJKUNXTDBAEG-UHFFFAOYSA-N	307.393	3.678	30	50	DHEA	
CCn1nc(C)c([C@@H](C#N)N2N=C(C)C[C@H]2c2ccccc2)c1C	4772687	PASFWUUMHKYUSI-ZWKOTPCHSA-N	321.428	3.907	30	50	DHEA	
C#C[C@@](O)(CCCC[C@](O)(C#C)c1ccccc1)c1ccccc1	5908765	BJCMPOHEYNVCRV-FGZHOGPDSA-N	318.416	3.589	30	50	DHEA	
C=C1[C@H]2C[C@H](C[C@H]1COS(=O)(=O)c1ccc(C)cc1)C2(C)C	248005936	GSEOVVUFELTJNF-YQQAZPJKSA-N	320.454	3.939	30	50	DHEA	
Cc1oc(C#N)cc1C(=O)N1C[C@@H](C)Oc2c(Cl)cccc21	281020414	SBLNTGIZGFHLSE-SECBINFHSA-N	316.744	3.541	30	50	DHEA	
CCOc1ccc(CNC(=O)C2(C#N)CCCCC2)cc1Cl	330516035	DRMNQQACLNEQAD-UHFFFAOYSA-N	320.820	3.829	30	50	DHEA	
Clc1cccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)c1	4348949	VPQJWVAXKCJFIA-GIJQJNRQSA-N	322.759	3.606	30	50	DHEA	
C=CCOc1cccc(C(=O)N[C@H](C)c2ccc(OC)cc2)c1	2877238	BWTRMKISOLRIKQ-CQSZACIVSA-N	311.381	3.751	30	50	DHEA	
O=[N+]([O-])c1c(F)cccc1OC(C(F)(F)F)C(F)(F)F	169725319	PJCNVSFTXFRUNO-UHFFFAOYSA-N	307.121	3.606	30	50	DHEA	
N#CC1(N(Cc2ccccc2)Cc2ccccc2)CCOCC1	230570613	JLOOYLXTIXLRJV-UHFFFAOYSA-N	306.409	3.762	30	50	DHEA	
O=C(Nc1ccc(Cl)cc1)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]3O[C@H]3[C@H]12	254352346	SHXFBSIHHBENLA-CVRTUJKGSA-N	319.788	3.700	30	50	DHEA	
N#CCc1cc(F)c(F)c(Br)c1Br	263622729	AJJYXZFXJRCURN-UHFFFAOYSA-N	310.923	3.556	30	50	DHEA	
C=CCc1cc(CN2CCC(CCOC)CC2)ccc1OC	1506407258	QAMPMDWDFIDNHJ-UHFFFAOYSA-N	303.446	3.672	30	50	DHEA	
CSC1=N[C@H](c2ccc(C)cc2)C2=C(N1)c1ccccc1C2=O	1406957	ZZLMSGLIYOXJKE-MRXNPFEDSA-N	320.417	3.966	30	50	DHEA	
C=C(C)COc1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1	12406139	FVSOWNDFDFKCQM-UHFFFAOYSA-N	324.380	3.852	30	50	DHEA	
C[C@@H]1CC(C)(C)N(C(=O)c2ccnc(C#N)c2)c2ccccc21	193739597	KDGOGLNTLBXJQA-CYBMUJFWSA-N	305.381	3.886	30	50	DHEA	
C[C@H](NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C)c1cccc(C#N)c1	595538762	KGSGWAOHFYNNNH-CKFHNAJUSA-N	319.408	3.647	30	50	DHEA	
COc1cccc(/C=N/NC(=S)Nc2cccc(Cl)c2)c1	4360408	SHCYPERVSFZVDM-LICLKQGHSA-N	319.817	3.669	30	50	DHEA	
CSC1=N/C(=C\c2cccc(Br)c2)C(=O)S1	4755311	HDNRVWJIEICSRK-TWGQIWQCSA-N	314.229	3.782	30	50	DHEA	
Oc1ccccc1/C=N/n1c(C2CCCCC2)n[nH]c1=S	4889415	ZSGVLIPSSPRBLH-MHWRWJLKSA-N	302.403	3.576	30	50	DHEA	
CCOC(=O)c1ccccc1N/C=C/C(=O)c1cccs1	8682704	JKCCDJIULRSEDP-MDZDMXLPSA-N	301.367	3.733	30	50	DHEA	
N#CCc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1	10335762	NLMPRYUABMOXMX-UHFFFAOYSA-N	319.408	3.601	30	50	DHEA	
Cc1ccsc1C=NN1CCN(c2ccc(Cl)cc2)CC1	244763973	OYXKIVAFCBNKBH-UHFFFAOYSA-N	319.861	3.866	30	50	DHEA	
C#Cc1ccc([C@H]2CCCN2C(=O)c2cc(C#N)cs2)cc1	1875329470	XLFGOVVLILNXSD-MRXNPFEDSA-N	306.390	3.578	30	50	DHEA	
Cc1cc(C)cc(OCC(=O)Nc2sc(C)c(C)c2C#N)c1	4842866	LPBPKHCLCKPSDT-UHFFFAOYSA-N	314.410	3.871	30	50	DHEA	
COc1cc(-c2nc3c(cc2C#N)CCCC3)cc(OC)c1OC	426369808	AAFNXIJVRHPLLU-UHFFFAOYSA-N	324.380	3.525	30	50	DHEA	
CC(=C/c1ccccc1)/C=N/n1c(S)nnc1-c1ccco1	1250309	NNIHUDSQNQLACM-KCILXYFRSA-N	310.382	3.764	30	50	DHEA	
Cc1c(C#N)c2ccccc2n1CC(=O)N[C@H](C)c1ccccc1	2877667	SKARCTSKEUHJAB-CQSZACIVSA-N	317.392	3.699	30	50	DHEA	
CC1(C)OB(c2ccc(C(F)(F)F)c(Cl)c2)OC1(C)C	206184225	NMSGFQRKMAIWHH-UHFFFAOYSA-N	306.520	3.658	30	50	DHEA	
CC1(C#N)CCN(Cc2cnn(-c3ccccc3Cl)c2)CC1	215469109	ULNXBXCYCPOJJN-UHFFFAOYSA-N	314.820	3.651	30	50	DHEA	
Cc1ccc([C@@H]2OCCC[C@H]2CNc2nc(C)cc(C#N)n2)cc1	288309327	IKMAZRMFQZVZCD-WMZOPIPTSA-N	322.412	3.545	30	50	DHEA	
CN(C)Cc1ccc(Cn2ccnc2-c2ccccc2C#N)cc1	1857714534	CPZKKYZEEXOOME-UHFFFAOYSA-N	316.408	3.532	30	50	DHEA	
COc1ncc(-c2ncc(C(F)(F)F)cc2Cl)cc1C#N	1396857	WNGKWOSWIVXQEW-UHFFFAOYSA-N	313.666	3.696	30	50	DHEA	
Cc1n(C)c2ccccc2[n+]1CC(=O)c1ccc2ccccc2c1	2922018	KJCBLHMWISJPSK-UHFFFAOYSA-N	315.396	3.810	30	50	DHEA	
C=CCN1Cc2c(sc(C)c2C)N(C(=O)c2ccccc2)C1	19300777	VFYWNMHQSDHWIT-UHFFFAOYSA-N	312.438	3.971	30	50	DHEA	
C=CCN1C(=O)/C(=C/c2c(C)cc(C)cc2C)SC1=S	20344354	LVULZFCQIHTECG-ZROIWOOFSA-N	303.452	3.999	30	50	DHEA	
Cc1c(Cc2ccccc2)c(=O)n2c([nH]c3ccccc32)c1C#N	100583933	JTNIGYIUHJSPQA-UHFFFAOYSA-N	313.360	3.552	30	50	DHEA	
CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cccc(C)c1	170618262	ZQNLRDKIGVWHST-LPHOPBHVSA-N	324.376	3.907	30	50	DHEA	
CCc1ccc2occ(C(=O)Nc3[nH]nc(C4CC4)c3C#N)c2c1	290484091	MGNVCHCUCFWGRH-UHFFFAOYSA-N	320.352	3.720	30	50	DHEA	
N#CC1(CNC(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)CCC1	333509348	IUNUJJKQEYJJFP-QGZVFWFLSA-N	323.440	3.660	30	50	DHEA	
O=C1/C(=C/c2ccc(O)c(O)c2)Oc2ccc3ccccc3c21	1775964930	LZZNGQKSSLDZNC-YVLHZVERSA-N	304.301	3.867	30	50	DHEA	
CCN(CC)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1	4737999	VTKKMSURKTWECD-QGOAFFKASA-N	312.373	3.887	30	50	DHEA	
CC#CCn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O	165758851	MRMZCGADLBAPEA-UHFFFAOYSA-N	302.377	3.704	30	50	DHEA	
Cc1cccc2oc(N3CCO[C@H](c4cccc(C#N)c4)C3)nc12	1615586155	QRKZXTXTQKPPCR-KRWDZBQOSA-N	319.364	3.586	30	50	DHEA	
COc1ccc2c(c1)CC/C(=C\c1cccc([N+](=O)[O-])c1)C2=O	4547316	QGEQIILWCFISKY-NTEUORMPSA-N	309.321	3.816	30	50	DHEA	
C=CCOc1ccccc1-c1cc(-c2ccc[nH]2)nc(N)c1C#N	71576015	PZXWMNHJXCQFGL-UHFFFAOYSA-N	316.364	3.762	30	50	DHEA	
CC1(C)OB(c2ccccc2OCc2ccccc2)OC1(C)C	169748060	OYMQYMSYMNEKLI-UHFFFAOYSA-N	310.202	3.565	30	50	DHEA	
C=C(C)CN(CC)C(=O)[C@@]12C[C@@H]3C[C@@](CC)(C1)C[C@](O)(C3)C2	823039350	MFTXTWKQKQBEIH-DSLXNQLJSA-N	305.462	3.523	30	50	DHEA	
C=CCN(Cc1ccsc1)C(=O)CCc1ccccc1OC	1506425252	FDKAGBPETMBMRR-UHFFFAOYSA-N	315.438	3.904	30	50	DHEA	
N#Cc1ccc(-c2ccncc2)nc1N1CCC2(CCCC2)C1	1875266139	SJXJIFFTSJLIDL-UHFFFAOYSA-N	304.397	3.786	30	50	DHEA	
C[C@H]1CCCCN1CC#CC(O)(c1ccccc1)c1ccccc1	1234567	YRJGDOGTIIGTTP-IBGZPJMESA-N	319.448	3.800	30	50	DHEA	
N#Cc1ccc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c(F)c1	275367110	BRKNKDGPAWRLNC-GOSISDBHSA-N	324.403	3.636	30	50	DHEA	
CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)c1ccccc1	310497067	MOCRHNGJUBHZSM-UHFFFAOYSA-N	323.245	3.622	30	50	DHEA	
C=CCN(Cc1ccncc1)C(=O)C(C)(C)Nc1ccc(C)cc1	1506430922	ZHTREDNRGVKEOP-UHFFFAOYSA-N	323.440	3.795	30	50	DHEA	
N#Cc1ccccc1NC(=O)Cc1ccc(Br)cc1	30768	PJEYWFQTKZDLIN-UHFFFAOYSA-N	315.170	3.502	30	50	DHEA	
CCOC(=O)[C@@H](C#N)[C@]1(c2ccc(C)cc2)CCOC(C)(C)C1	209728	CYXLBAWOZNHCJF-VQIMIIECSA-N	315.413	3.525	30	50	DHEA	
COc1ccc(C(=O)/C=C/Nc2cc(OC)ccc2OC)cc1	304508	HGJRUGQHYYOIQM-ZHACJKMWSA-N	313.353	3.521	30	50	DHEA	
CCOc1ccc(C(=O)Nc2ccccc2C#N)cc1OCC	618330	FBEOXZQQNQBWFN-UHFFFAOYSA-N	310.353	3.608	30	50	DHEA	
Cc1ccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2)c(Cl)c1	4755325	ZAYZHEBVIHHMOP-UHFFFAOYSA-N	323.179	3.779	30	50	DHEA	
CCOC(=O)/C(C#N)=N/Nc1cc(Cl)c(Cl)cc1Cl	23283648	SPCDQYLMZJOFHZ-LICLKQGHSA-N	320.563	3.501	30	50	DHEA	
Cc1ccc(C)c(-c2cc(-c3c[nH]c(C)n3)c(C#N)c(N)n2)c1	67489551	BRIBAYFURRQWJE-UHFFFAOYSA-N	303.369	3.518	30	50	DHEA	
C[C@H]1OCc2c1nc(N)c(C#N)c2-c1c(F)cccc1Cl	71759862	JTDSCVDEJFMCFY-SSDOTTSWSA-N	303.724	3.586	30	50	DHEA	
CCn1cc(CN(C)[C@H](C)c2nc(C)sc2C)cc1C#N	72148192	ARWWNQQGWQZWJT-LLVKDONJSA-N	302.447	3.646	30	50	DHEA	
Cn1c(N2CCC[C@H]2c2cc(F)ccc2F)nc(Cl)c1C#N	2325802386	DRZWRFJOJFLYFK-LBPRGKRZSA-N	322.746	3.565	30	50	DHEA	
COc1cccc(C(=O)/C=C(\C)Nc2ccc(C(=O)O)cc2)c1	4998783	DYZHDZDXNKFVEB-ZRDIBKRKSA-N	311.337	3.592	30	50	DHEA	
Cc1ccc(/C(N)=N/OC(=O)c2cccc3ccccc23)cc1	18172978	UBPYRGIAKSYMGB-UHFFFAOYSA-N	304.349	3.626	30	50	DHEA	
N#C[C@H]1CCCN(Cc2nc(-c3ccc(F)cc3)cs2)C1	97674336	YIOJLTDFXSNPQY-GFCCVEGCSA-N	301.390	3.685	30	50	DHEA	
CCCCCCCCCCCCNC[C@H](O)C[N+](C)(C)C	100936534	XOQMJLNNORLOFH-SFHVURJKSA-N	301.539	3.564	30	50	DHEA	
O[C@](C#CCN1CCCCC1)(c1ccccc1)C1CCCCC1	2469751	IXXCPZGOFVCPCH-OAQYLSRUSA-N	311.469	3.944	30	50	DHEA	
Cc1ccc2c(c1)OCCC/C2=N/Nc1ccc(C(=O)O)cc1	1875262273	FKAQAWWXHPIUKY-SILNSSARSA-N	310.353	3.682	30	50	DHEA	
N#Cc1ccccc1-c1ccc(CS(=O)(=O)C2CCC2)cc1	1875282061	LHWRHKHVGGWVMA-UHFFFAOYSA-N	311.406	3.693	30	50	DHEA	
CCc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1	100337	GOOVMNQOXRWFES-KGENOOAVSA-N	319.408	3.797	30	50	DHEA	
C=CCSc1nc2ccccc2c(=O)n1-c1ccccc1OC	2268854	RPCNPMRPVJBCHG-UHFFFAOYSA-N	324.405	3.672	30	50	DHEA	
C=CCN(Cc1cccc(OC)c1)Cc1cnc2ccccc2n1	55369406	LVHKQXGHRAERLZ-UHFFFAOYSA-N	319.408	3.827	30	50	DHEA	
Cc1ccc(N(CCC#N)C(=O)c2cccc(F)c2F)cc1	171027794	RRVWGKHIMSFPKK-UHFFFAOYSA-N	300.308	3.834	30	50	DHEA	
C[C@H](NC(=O)[C@H]1C[C@]12CCc1ccccc12)c1ccc(C#N)cc1	266562646	NSKIBFBWQRTWHT-ZKYUUJBMSA-N	316.404	3.640	30	50	DHEA	
COc1ccc(F)c2c1CCN([C@@H](C)c1cccc(C#N)c1)C2	1875360200	BAHRCAUMTDTJHD-ZDUSSCGKSA-N	310.372	3.825	30	50	DHEA	
CC(=O)Nc1nc2c(c(-c3ccccc3)c1C#N)CCCCC2	103182	UMLMNMLBNOSCQK-UHFFFAOYSA-N	305.381	3.848	30	50	DHEA	
O=C(Nc1cccc(Cl)c1)O/N=C/c1cccc([N+](=O)[O-])c1	1386776	RFDFRTLOKLCYCE-CXUHLZMHSA-N	319.704	3.831	30	50	DHEA	
O=C(Nc1cc(Cl)ccc1Cl)O/N=C\c1ccccn1	4760260	TWVIDEXXKQGXJS-IUXPMGMMSA-N	310.140	3.971	30	50	DHEA	
C=CCn1c(=S)[nH]c2sc3c(c2c1=O)C[C@](C)(CC)OC3	5059460	PAMVWFOYXPELKF-HNNXBMFYSA-N	322.455	3.548	30	50	DHEA	
C=CCC(=O)N[C@@H]1CCCc2c1cnn2-c1cccc(C)c1C	12055731	YRDOBALKAWMNBZ-MRXNPFEDSA-N	309.413	3.559	30	50	DHEA	
C=C[C@H]1CCN(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)C1	426377937	ILDRDMKVPUSWDO-JTQLQIEISA-N	316.298	3.562	30	50	DHEA	
C=CCn1c(CCSCc2ccc(OC)cc2)n[nH]c1=S	4384576	SSPIFGLYHOKOPB-UHFFFAOYSA-N	321.471	3.611	30	50	DHEA	
CC1(C)OB(c2ccc(OC(F)(F)F)cc2Cl)OC1(C)C	390791038	WMSMTLJAMCHTES-UHFFFAOYSA-N	322.519	3.538	30	50	DHEA	
CCCCCCCCn1nnn(Cc2ccc(Cl)cc2)c1=N	2518843	ASVXPFWESFATMQ-UHFFFAOYSA-N	321.856	3.621	30	50	DHEA	
C=CCNCCOc1c(Cl)cc(C)cc1Br	3462128	NEFLTFNORWKLKI-UHFFFAOYSA-N	304.615	3.565	30	50	DHEA	
N/C(Cc1ccc(Cl)cc1)=N\OC(=O)c1ccccc1Cl	5042397	DYDXCMHLXFBEQW-UHFFFAOYSA-N	323.179	3.665	30	50	DHEA	
CC[C@@H]1CCc2c(sc(NC(=O)c3cc(C)on3)c2C#N)C1	13327309	PNKFIZHTBKFPOA-SNVBAGLBSA-N	315.398	3.683	30	50	DHEA	
CCc1ccc(C)[n+](CC(=O)Nc2c(CC)cccc2CC)c1	5674297	LKNAZZXMTVSECG-UHFFFAOYSA-O	311.449	3.608	30	50	DHEA	
CC(C)c1ccc(/C=N/n2c(C(F)(F)F)n[nH]c2=S)cc1	8227965	XJVXNGVUHJTNIU-REZTVBANSA-N	314.336	3.965	30	50	DHEA	
CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccs1	15108081	IOFONJBNPOLGNI-MRXNPFEDSA-N	309.394	3.976	30	50	DHEA	
Cc1n[nH]c2c1[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2	17945168	FFFWFAUFYUNHEL-MRXNPFEDSA-N	307.397	3.919	30	50	DHEA	
CC(C)(C)OC(=O)N1CCC[C@H](C/N=C/c2ccccc2)C1	98213388	GKEFLGAWUZYHKZ-PUMYGXPMSA-N	302.418	3.753	30	50	DHEA	
O/N=C1\c2ccccc2/C(=N/O)[C@H]1c1cccc2ccccc12	252320762	PVMKFHVJUDWPHH-KENGGWMRSA-N	302.333	3.994	30	50	DHEA	
N#Cc1cccc(C#N)c1N1CCC[C@@H](CN2CCCCCC2)C1	302389234	BJFBZGLILRHFKC-KRWDZBQOSA-N	322.456	3.522	30	50	DHEA	
Cc1ccc(Cl)c2ccc(NC(=O)NCC(C)(C)C#N)nc12	1670395701	WSKLLICFASYIPA-UHFFFAOYSA-N	316.792	3.868	30	50	DHEA	
C=CCNc1cccc(Oc2ncc(Br)cn2)c1	120816209	DDACTIODTLKNNE-UHFFFAOYSA-N	306.163	3.629	30	50	DHEA	
CC(C)[C@H]1CN(c2ncccc2C#N)C[C@@H](c2ccccc2)O1	1875246101	YSWUWWRVXJNQAV-MSOLQXFVSA-N	307.397	3.556	30	50	DHEA	
N#Cc1ccc(CN2CCN(c3ccccc3)CC2)c(Cl)c1	20109832	ACBNMARLDLXIJT-UHFFFAOYSA-N	311.816	3.534	30	50	DHEA	
C=C(C)COc1ccc(C(=O)N(C)[C@H](C)Cc2ccccn2)cc1	55344325	DZSHOTVOUVWWRB-MRXNPFEDSA-N	324.424	3.740	30	50	DHEA	
CN(C(=O)c1ccnc(C2CC2)c1)c1cc(Cl)ccc1C#N	253427565	WCDZXNTYKAHVKS-UHFFFAOYSA-N	311.772	3.761	30	50	DHEA	
CC1(C)CC[C@@H](C/N=C(/O)[C@@H]2C[C@]23CCOc2ccccc23)O1	328603952	HUBAWQSSYZCWNT-RFUYNDQBSA-N	315.413	3.641	30	50	DHEA	
Cc1nc2c(s1)CCC[C@@H]2C/N=C(/O)c1scnc1C	328626910	MEEDSJCEEAQTGI-SNVBAGLBSA-N	307.444	3.641	30	50	DHEA	
N#Cc1ccccc1OCC(=O)c1ccc(Br)cc1	2584140	QEDIDXBSEKBJNZ-UHFFFAOYSA-N	316.154	3.582	30	50	DHEA	
C=CCc1ccccc1OCCCCN1C[C@@H](C)O[C@H](C)C1	20167319	HAXWKPMSXNFRIR-IAGOWNOFSA-N	303.446	3.683	30	50	DHEA	
C=CCN(Cc1ccccn1)C(=O)c1ccc(-n2cccc2)cc1	67692041	KTNVKYYLFRNVFX-UHFFFAOYSA-N	317.392	3.701	30	50	DHEA	
FC(F)(F)[C@@]1(F)C(F)(F)C(F)(F)[C@@]1(F)C(F)(F)F	95681874	RBTROQHBNLSUTL-XIXRPRMCSA-N	300.042	3.812	30	50	DHEA	
Cc1ccc(Oc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cn1	170604159	KYBXNFKPWHFRLM-UHFFFAOYSA-N	306.281	3.510	30	50	DHEA	
CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1cc(C#N)cs1	177047130	BICVXIDCRCWCAF-VIFPVBQESA-N	304.337	3.669	30	50	DHEA	
COC(=O)C[C@H](C)c1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1	239782385	COBZNLQEEPPFOA-GRDNDAEWSA-N	300.402	3.847	30	50	DHEA	
Cc1cc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(C#N)cn1	425236923	QYKCCJJRKKALBZ-UHFFFAOYSA-N	323.240	3.583	30	50	DHEA	
C=C(C)COc1ccc(C(=O)N(C)[C@@H](C)c2cccnc2)cc1	55309104	ULCIRXZNPWIPJV-HNNXBMFYSA-N	310.397	3.870	30	50	DHEA	
CC(C)n1ccnc1[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1	95362912	YNVSAWHDCNIGIP-GOSISDBHSA-N	308.429	3.715	30	50	DHEA	
O=C1CCCC(O)=C1[C@@H]1C2=C(CCCC2=O)Oc2ccccc21	96523222	IEJXFBPSOACJDV-QGZVFWFLSA-N	310.349	3.735	30	50	DHEA	
N#Cc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1cccc(O)c1)N2	103134612	WMVGWPFTFAKDPZ-AYOQOUSVSA-N	306.365	3.898	30	50	DHEA	
N#Cc1ccc(N2CCC(F)(F)CC2)c(Br)c1	169725864	NFQZYJHBTLXSAR-UHFFFAOYSA-N	301.134	3.556	30	50	DHEA	
N#Cc1ccc(F)c(CNC(=O)c2cccc(C(F)(F)F)c2)c1	174421439	JIMIYNOXQLVXGP-UHFFFAOYSA-N	322.261	3.646	30	50	DHEA	
Clc1ccccc1CN1CCN(N=Cc2cccs2)CC1	244795741	RMTMEFAGGJWCQP-UHFFFAOYSA-N	319.861	3.553	30	50	DHEA	
Cc1cc(O[C@H](C)C(=O)Nc2ccc(C#N)cc2)ccc1Cl	4870132	ARRPTJQKEHAOQK-GFCCVEGCSA-N	314.772	3.926	30	50	DHEA	
O=C1C2=C/C(=C\Nc3ccc(Cl)cc3)C(=O)N2c2ccccc21	5073906	RRUYTJCRASGVCY-ZHACJKMWSA-N	322.751	3.763	30	50	DHEA	
CCOc1cc(CO)cc(Cl)c1OCc1ccccc1C#N	470447	VQXQKOBJOYDHIK-UHFFFAOYSA-N	317.772	3.682	30	50	DHEA	
C#CCOc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1C	100903293	ACRUEDQKZKIOIV-NBVRZTHBSA-N	316.360	3.505	30	50	DHEA	
N#Cc1ccccc1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1	286402423	UJUAUZUZPNBBFQ-QGZVFWFLSA-N	322.412	3.936	30	50	DHEA	
CC(C)[C@H](C)N(Cc1cc([N+](=O)[O-])c(C#N)cc1F)C1CC1	225637553	BXEGPZOOAZYOME-NSHDSACASA-N	305.353	3.614	30	50	DHEA	
C[C@H](OC1CCCCCC1)C(O)=Nc1nc2cccnc2[nH]1	330244561	XHPFKVVNYFVYEE-NSHDSACASA-N	302.378	3.674	30	50	DHEA	
COc1ccc(Cl)c2c1CCC[C@@H]2N(C)CCO[C@@H](C)C#N	844443047	HVRLPLUCUVZHNL-WFASDCNBSA-N	322.836	3.586	30	50	DHEA	
Clc1ccc(OCC#CCN2CCc3ccccc3C2)cc1	20406281	BSKXUELQLHQKLE-UHFFFAOYSA-N	311.812	3.781	30	50	DHEA	
C=C(C)COc1ccccc1C(=O)N(C)CCC[C@H]1CCCO1	63869057	WLYWNMACDMYTTR-INIZCTEOSA-N	317.429	3.673	30	50	DHEA	
O=C[C@@H]1C[N@@]1C(c1ccccc1)(c1ccccc1)c1ccccc1	1857523681	NEUUUDUJOWNVQD-JTHBVZDNSA-N	313.400	3.862	30	50	DHEA	
C#CCOc1ccc(/C=C/C(=O)c2ccccc2)cc1OCC	4892034	VONJJJOUIGEMCD-ZRDIBKRKSA-N	306.361	3.993	30	50	DHEA	
CCc1noc(C)c1CO/N=C(\N)C12CC3CC(CC(C3)C1)C2	122635510	FDIMGGKDBZQVOL-UHFFFAOYSA-N	317.433	3.551	30	50	DHEA	
Cc1c(C#N)c(N2CCC(c3cc[nH]n3)CC2)nc2ccccc12	450301173	SPGUTQNKLDGVTO-UHFFFAOYSA-N	317.396	3.522	30	50	DHEA	
O=C(/C=C/c1cn(C[C@@H]2CO2)c2ccccc12)c1ccccc1	828176542	BKAQLRQZVBQKDB-SXSDINLZSA-N	303.361	3.936	30	50	DHEA	
N#Cc1nc(-c2ccc(F)cc2)oc1NCCOc1ccccc1	1775975036	BNALDMBYTGKHOF-UHFFFAOYSA-N	323.327	3.843	30	50	DHEA	
CC1(C)Cc2c(sc(/N=C/N3CCCC3)c2C#N)C(C)(C)N1	274121	VLDIVPTWXCHYAK-YBFXNURJSA-N	316.474	3.535	30	50	DHEA	
N#Cc1cc(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1	2559778	QPZYPAMYHBOUTC-UHFFFAOYSA-N	321.089	3.652	30	50	DHEA	
N#Cc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1	2726546	UFSLVSDJUDPIGY-UHFFFAOYSA-N	308.362	3.512	30	50	DHEA	
Cc1ccc(/C=C/C(=O)c2c3c(c(C)[nH]c2=O)CCCC3)cc1	4009487	QKTWLVKWSCAREW-VAWYXSNFSA-N	307.393	3.767	30	50	DHEA	
CC1=CC[C@@H](/C=N\Nc2nnc3c(n2)[nH]c2ccccc23)CC1	4611285	MBCLCMZIUDDECB-HIPMGEKLSA-N	306.373	3.650	30	50	DHEA	
CCCSC1=N/C(=C\c2ccccc2[N+](=O)[O-])C(=O)S1	4913575	YUBNPETYUMYZJP-NTMALXAHSA-N	308.384	3.708	30	50	DHEA	
Cc1cccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1	5206849	KOKWMORNMDIHJI-QGMBQPNBSA-N	324.262	3.763	30	50	DHEA	
CO[C@]1(C)CCCN(/C(O)=N/[C@H](C)CCc2ccc(C)o2)CC1	328588758	ONFVUSJCBVFBAM-RDTXWAMCSA-N	322.449	3.714	30	50	DHEA	
COc1ccc([C@H](C)/N=C(/O)Cc2ccc(F)cn2)cc1F	328592273	BVAVIVDIBTUFGT-JTQLQIEISA-N	306.312	3.629	30	50	DHEA	
N#CC#Cc1ccc(NC(=O)OC[C@@H]2[C@H]3CCC#CCC[C@H]32)cc1	585091563	WTBFSPHYGKPNMH-BWTSREIZSA-N	318.376	3.550	30	50	DHEA	
COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1	5073135	RXEQBCWMBKUXER-VQHVLOKHSA-N	313.309	3.508	30	50	DHEA	
C[C@H]1Oc2ccc(Cl)cc2N(Cc2ccc(C#N)cc2)C1=O	215941424	SNQMVBLXHPYBKC-LLVKDONJSA-N	312.756	3.526	30	50	DHEA	in-vitro
CCCO[C@H]1CCCN(/C(O)=N/Cc2cscc2C)CC1	328587988	LEPLKHBRQHKGTM-HNNXBMFYSA-N	310.463	3.752	30	50	DHEA	
COc1ccc(/C=N/c2ccc(Br)cc2)cc1O	46342	SRPCNVXQTNEVPU-CXUHLZMHSA-N	306.159	3.914	30	50	DHEA	
COc1ccc(-c2nc(C#N)c(NCc3ccccc3)o2)cc1	135157	HNWSPNXEZLCZHS-UHFFFAOYSA-N	305.337	3.834	30	50	DHEA	
C=C(C)COc1cccc(NC(=O)Cc2ccc(OC)cc2)c1	9823874	ZVUYCZXPKSZTJV-UHFFFAOYSA-N	311.381	3.831	30	50	DHEA	
Cc1ccccc1[C@H]1CCCN(C(=O)c2ccccc2C#N)C1	77485003	BFAGMOYCUWFJKA-KRWDZBQOSA-N	304.393	3.887	30	50	DHEA	
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C	257355923	DPFJWSXDCNAYDI-BCRJPVCJSA-N	310.437	3.659	30	50	DHEA	
CCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1C	183181	MSTDKBUKGFKQFE-UHFFFAOYSA-N	315.380	3.724	30	50	DHEA	
Cc1cc(OCC(=O)Nc2ccc(CC#N)cc2)ccc1Cl	269651	ZAWLOESIFMQNHV-UHFFFAOYSA-N	314.772	3.732	30	50	DHEA	
CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C#N)c3n2)cc1	2758624	IEPXKYFKCWYYCL-UHFFFAOYSA-N	316.286	3.849	30	50	DHEA	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CC#N)c2C#N)C1	5902537	BCTSYLOAQBTVHS-JTQLQIEISA-N	301.415	3.623	30	50	DHEA	
C#CCOc1ccccc1NCc1cc(OC)c(OC)cc1C	170599588	GIFRJETYGPBHEL-UHFFFAOYSA-N	311.381	3.636	30	50	DHEA	
C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1nc2cccc(C)n2c1F	214947214	HNDXBEDZUAHTNJ-JSGCOSHPSA-N	313.376	3.517	30	50	DHEA	
C#CO[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C	252694737	PBNYSFWSJABVTO-LTFPLMDUSA-N	312.409	3.544	30	50	DHEA	biogenic
CC(O)=Nc1ccccc1CN1CCN2CCOc3cccc1c32	328587108	CMKRBVMDHJJTPW-UHFFFAOYSA-N	323.396	3.514	30	50	DHEA	
CC1(C)C[C@@H](/N=C(/O)Cc2cnccc2C(F)(F)F)CCO1	328592848	KXKYMZZLIPRZMA-NSHDSACASA-N	316.323	3.557	30	50	DHEA	
CCc1ccc(NC=C2C(=O)CC(c3ccco3)CC2=O)cc1	228083	OYMIABMBDQAEKR-UHFFFAOYSA-N	309.365	3.854	30	50	DHEA	
C=CCNC(=S)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	1877905	CJEYHVKQKDGUMQ-VCHYOVAHSA-N	319.817	3.584	30	50	DHEA	
COc1ccc(/C=C/C(=O)c2cccs2)cc1Cn1cccn1	6490717	JQLITYBWRCEDOO-FNORWQNLSA-N	324.405	3.898	30	50	DHEA	
COc1cccc(N/C(S)=N/C2CC(C)(C)NC(C)(C)C2)c1	8684855	FXHGHHVCVOCURQ-UHFFFAOYSA-N	321.490	3.702	30	50	DHEA	
CC1(C)C[C@H](c2cc(-c3cccc(O)c3)nc(N)c2C#N)CCO1	67803853	DNXOFMJBCSGOKK-CYBMUJFWSA-N	323.396	3.581	30	50	DHEA	
CCCCCCCNC(=O)CCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C	239231190	VBZPLRJWPFTKCV-GVDBMIGSSA-N	324.509	3.794	30	50	DHEA	
Cc1cc(CN2CCCC2)cc(C)c1Oc1ncccc1C#N	67895972	FDLCTEALAGSWRL-UHFFFAOYSA-N	307.397	3.958	30	50	DHEA	
C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2noc(C3CC3)n2)C1	229912999	UNIWKXYEIBSUPQ-SUMWQHHRSA-N	322.412	3.759	30	50	DHEA	
CC(C)c1cc(-c2ccccc2Cn2cccn2)c(C#N)c(N)n1	71479503	NGYNBYFASCMSJU-UHFFFAOYSA-N	317.396	3.571	30	50	DHEA	
Cc1cccc([C@@H]2CCCN2C(=O)/C=C/c2cccc(C#N)c2)n1	119051978	AMEHEJAAWNAYPV-VYENPZKTSA-N	317.392	3.639	30	50	DHEA	
Sc1nnc(C2CCCCC2)n1N=C/C=C/c1ccco1	245313071	ZMIYKKQTKFAGKZ-UGMSAXTLSA-N	302.403	3.755	30	50	DHEA	
N#Cc1c(NC(=O)c2ccncc2)sc2c1CCCCCC2	433780	HDOUSKZYWLCSRD-UHFFFAOYSA-N	311.410	3.926	30	50	DHEA	
C[C@H](c1ccco1)n1ccnc1-c1ccc(C#CC(C)(C)O)cc1	77470498	MKLYKYNIGHWFPZ-OAHLLOKOSA-N	320.392	3.875	30	50	DHEA	
CC(=O)Nc1ccc(Cl)c(NCc2cc(C#N)ccc2F)c1	178368241	JSVWYPGRQQHXPT-UHFFFAOYSA-N	317.751	3.921	30	50	DHEA	
Cc1ccc(C#N)cc1OC[C@H](F)CN(C)Cc1ccccc1	1875378800	FAJCDISKNRUYKX-GOSISDBHSA-N	312.388	3.716	30	50	DHEA	
C=CCOc1ccc(COc2ccc(CC(=O)O)cc2)cc1C	2546369	MGVAMQAEPMAFBV-UHFFFAOYSA-N	312.365	3.766	30	50	DHEA	
COc1ccc(N/C=C\C(=O)c2ccc(F)cc2)cc1OC	4706756	LXIGBPSFPJHWSX-KTKRTIGZSA-N	301.317	3.651	30	50	DHEA	
O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2/C=N/O)cc1	6926350	MULROTQWEMJXMJ-LZYBPNLTSA-N	306.705	3.635	30	50	DHEA	
O=C(/C(Br)=C/c1ccc([N+](=O)[O-])cc1)c1ccco1	8379366	ZOMNUNWDCBYGIJ-FLIBITNWSA-N	322.114	3.807	30	50	DHEA	
C=CCn1cc(CN[C@@H](C)COc2c(C)cccc2C)c(C)n1	55393133	GZXZZTYUHHMLTO-INIZCTEOSA-N	313.445	3.551	30	50	DHEA	
O=C(CCCCC#Cc1ccccc1)NCCCc1cccnc1	2325798477	VIFWUPSVCDMOTQ-UHFFFAOYSA-N	320.436	3.743	30	50	DHEA	
CCNc1nc(Oc2ccc(C#N)cc2)cc(C(F)(F)F)n1	1396731	YEFOULXTEPDXIX-UHFFFAOYSA-N	308.263	3.591	30	50	DHEA	
CC/C(=N/OC(=O)c1ccc(OC)cc1)C(=O)c1cccs1	4190172	GWJJNLNEEYIQFV-LGMDPLHJSA-N	317.366	3.562	30	50	DHEA	
CC1(C)CC(=O)C=C(NC2CCN(Cc3ccccc3)CC2)C1	100379626	YCZPOAVAVBRRSK-UHFFFAOYSA-N	312.457	3.514	30	50	DHEA	
N#CC1(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)CCCCC1	184392131	DCCZOAAVEOJSBB-UHFFFAOYSA-N	324.340	3.556	30	50	DHEA	
N#CC#Cc1ccc(NC(=O)OCC2[C@@H]3CCC#CCC[C@@H]23)cc1	585091564	WTBFSPHYGKPNMH-QZTJIDSGSA-N	318.376	3.550	30	50	DHEA	
C#CCCC1(CCC(=O)N2CCC(CC(F)(F)F)CC2)N=N1	952880766	LSGQLDQKYPGDHQ-UHFFFAOYSA-N	315.339	3.533	30	50	DHEA