smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)O[C@H]1[C@@H](C)O[C@@H](Sc2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	44170620	YPJGKQRQWRZEKO-PRNPZUBZSA-N	382.434	2.319	0	30	GEAC	in-vitro
CCOCCCNC(=O)CSc1nnc2c3cc(F)ccc3n(C)c2n1	6517885	QNRJVHYZRJDJIL-UHFFFAOYSA-N	377.445	2.291	0	30	GEAC	
CC(C)(C)OC(=O)N1C(=O)c2ncccc2C2=C[C@H](O)[C@H]3OC(C)(C)O[C@H]3[C@H]21	2265351896	MGSQYHNLZYEEOK-HNKHHVNMSA-N	388.420	2.119	0	30	GEAC	
O=C(Nc1ccc(F)cc1)Nc1ccccc1C(=O)NCCN1CCNC1=O	1033429	DEQHVZLGOZHFSB-UHFFFAOYSA-N	385.399	2.225	0	30	GEAC	
CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)CSCC(=O)O)cc2)c1C	4390265	ANBMVNABRPCZDX-UHFFFAOYSA-N	391.449	2.422	0	30	GEAC	
O=C(O)[C@H]1Cn2cnnc2CN1C(=O)OCC1c2ccccc2-c2ccccc21	669371896	DYPKFPSVNADVRM-GOSISDBHSA-N	390.399	2.496	0	30	GEAC	
O=S(=O)(c1sc(Br)cc1Br)N1CCOCC1	1039589	CTHZYSCWYLHLFW-UHFFFAOYSA-N	391.106	2.294	0	30	GEAC	
COC(=O)c1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3[nH]cnc32)c1C	1040174	BOIZTTUOMONQSS-UHFFFAOYSA-N	390.399	2.019	0	30	GEAC	
Cc1ccc(S(=O)(=O)CC(C)(O)CS(=O)(=O)c2ccc(C)cc2)cc1	1039636	MMKKFKQJBQQLME-UHFFFAOYSA-N	382.503	2.302	0	30	GEAC	
O=C(NCCN1CCN(c2nccc(C(F)(F)F)n2)CC1)c1ccccc1	71647675	JOZHIGROZTWPPN-UHFFFAOYSA-N	379.386	2.047	0	30	GEAC	
COc1ccc(COC[C@@H](O)CS(=O)(=O)c2ccc(OC)c(OC)c2)cc1	1042347	MAVIDAPNVYNVTH-OAHLLOKOSA-N	396.461	2.064	0	30	GEAC	
COc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)c(N2CCOCC2)n1	4381399	DIVFCXSCSKRRAQ-CABCVRRESA-N	389.452	2.313	0	30	GEAC	
CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)c1ccccc1	34235344	WHKUKOCUXSRSAR-WHHPXKAQSA-N	386.400	2.058	0	30	GEAC	in-vitro
CCOC(=O)c1ccc(/N=N/[C@@H]2C(=O)N(c3ccccc3)N=C2C(N)=O)cc1	111870413	XCZDCNNCRLGUAL-YWBAYFEHSA-N	379.376	2.204	0	30	GEAC	
Nc1nc(-c2cccnc2)ncc1S(=O)(=O)c1ccc(C(F)(F)F)cn1	1038481	AJCCHJVYDGJFJA-UHFFFAOYSA-N	381.339	2.367	0	30	GEAC	
Cc1cc(C(N)=O)ccc1NC(=O)c1ccnc(N2CCN(CC3CC3)CC2)c1	40435175	HROSGXQDGWPDKZ-UHFFFAOYSA-N	393.491	2.273	0	30	GEAC	
COc1nc(N)ncc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1cccc(C)c1	33886437	HQXKFINLVBRBLF-ALOPSCKCSA-N	381.480	2.301	0	30	GEAC	
CC(=O)Nc1cc2c3c(cc(NC(C)=O)cc3c1)C(=O)N(CCCC(=O)O)C2=O	35092277	BMGFLVVATOQHKH-UHFFFAOYSA-N	397.387	2.217	0	30	GEAC	
CN1CCN(C(=O)CN[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1	115753245	YAMSXCOVJUUMCT-FGZHOGPDSA-N	379.504	2.485	0	30	GEAC	
O=S(=O)(c1ccc(-c2ccno2)s1)N1CCN(c2ccccn2)CC1	35601041	ZXYIEKKVLKHOKO-UHFFFAOYSA-N	376.463	2.309	0	30	GEAC	
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)O)[C@@H]1c1ccccc1Cl	142474704	RMMLXNROVBYURX-INIZCTEOSA-N	394.855	2.178	0	30	GEAC	in-vitro
Cc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1C	1033348	YSYXRZPNUIGPSU-GOSISDBHSA-N	383.423	2.412	0	30	GEAC	
S=C(N[C@H]1C[C@H]2C=C[C@H]1C2)N1CCN(C(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)CC1	252427973	MKEZAFBVCFNWSB-QQCJEOGWSA-N	388.606	2.282	0	30	GEAC	
CN(C)S(=O)(=O)c1nn(Cc2cccnc2)c2ccc(Br)cc12	607717062	VKFJAVHDEQGJME-UHFFFAOYSA-N	395.282	2.492	0	30	GEAC	
COC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCOCC1	1028546	AVQBFXLWJFHJBW-UHFFFAOYSA-N	394.424	2.250	0	30	GEAC	
CNC(=O)[C@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C	215537541	GHVMTHKJUAOZJP-JQHSSLGASA-N	391.512	2.139	0	30	GEAC	
NC(=O)[C@H](F)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	2265385616	RMZNYLWGHBVZKN-SJORKVTESA-N	386.379	2.192	0	30	GEAC	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(OC)cc1	1043323	CSGNMXVDOWQCQD-SFHVURJKSA-N	388.445	2.239	0	30	GEAC	
COCCCn1cc(CN(C)C[C@]2(O)COc3cc(C)nn3C2)c2ccccc21	1616057466	UQYBWHLYGLMZDJ-JOCHJYFZSA-N	398.507	2.438	0	30	GEAC	
COc1cccc(N2CC(=O)N(NC(=O)Nc3cccc(Cl)c3)CC2=O)c1	1036164	MMEHXNIQBMGYKN-UHFFFAOYSA-N	388.811	2.261	0	30	GEAC	
COC(=O)C1=CC(C(=O)c2cccs2)=NN(c2ccccc2)[C@H]1C(=O)OC	1033462	GTNXJHOMZWNNFS-MRXNPFEDSA-N	384.413	2.448	0	30	GEAC	
O=C(O)CSCC(=O)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1	4324343	OSKYZKMAPRODMP-UHFFFAOYSA-N	375.328	2.189	0	30	GEAC	
COc1ccc(CNC[C@@H](O)COc2ccc3[nH]c(=O)ccc3c2)cc1OC	3803111	BYKYPZBCMBEEGU-MRXNPFEDSA-N	384.432	2.075	0	30	GEAC	in-man
O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1	256979427	CSKDFZIMJXRJGH-PKCACUDHSA-N	376.334	2.403	0	30	GEAC	
CC(=O)O[C@H]1CC[C@@]23CO[C@@H](C[C@H]4[C@@H]2CC[C@@]2(C)OC(=O)CC[C@@H]42)[C@@]3(O)C1	2265351275	AVVPKSAAMYFDHU-VYBRGMNPSA-N	378.465	2.360	0	30	GEAC	
CSc1ccc(-c2nc3ncccn3c2CN2CCN(CCO)CC2)cc1	22922344	IZABYMQFNLXLPK-UHFFFAOYSA-N	383.521	2.228	0	30	GEAC	
CCCC(=O)Oc1cc2oc(=O)c(C(=O)NCCC(=O)O)cc2cc1Cl	35973454	KMNKBDQZBZDJPH-UHFFFAOYSA-N	381.768	2.356	0	30	GEAC	
O=c1[nH]nc(SCCS(=O)(=O)c2ccc(F)cc2)n1-c1ccccc1	15923308	KOCOSQWRWFSFIX-UHFFFAOYSA-N	379.438	2.266	0	30	GEAC	
O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](O)[C@@H]1O	136532060	ZAZZFZLLPGMINF-SSGKUCQKSA-N	392.451	2.434	0	30	GEAC	
COC(=O)c1ccc(Cn2c(=O)cc(N)n(-c3cccc(SC)c3)c2=O)cc1	1040192	OHGYPEYZWQLHKJ-UHFFFAOYSA-N	397.456	2.138	0	30	GEAC	
Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc2nonc2c1	1040126	PJGAHZIEUJMHIJ-UHFFFAOYSA-N	380.433	2.427	0	30	GEAC	
O=C(c1ccc2c(c1)CCO2)N1CCN(C(=O)c2ccc3c(c2)CCO3)CC1	1028596	OHAPUQAZZVYZLF-UHFFFAOYSA-N	378.428	2.155	0	30	GEAC	
NC(=O)[C@@H](F)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	2265385218	RMZNYLWGHBVZKN-IRXDYDNUSA-N	386.379	2.192	0	30	GEAC	
CC(C)(C)OC(=O)N1CCC[C@@H](CNS(=O)(=O)c2nc3ccccc3[nH]2)C1	888084868	HDCSFLJSRLICTP-ZDUSSCGKSA-N	394.497	2.488	0	30	GEAC	
CC(=O)O[C@H]1CC[C@@]23CO[C@@H](C[C@@H]4[C@@H]5CCC(=O)O[C@]5(C)CC[C@H]42)[C@@]3(O)C1	2265351273	AVVPKSAAMYFDHU-PPNHDNLDSA-N	378.465	2.360	0	30	GEAC	
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1	225713614	XDJIAMDPGBXWIH-HXUWFJFHSA-N	390.386	2.252	0	30	GEAC	
CCOC(=O)N1CCN(C[C@H](O)COc2ccc(OC(F)(F)F)cc2)CC1	20405946	MPJMPFWQZBTNQB-ZDUSSCGKSA-N	392.374	2.099	0	30	GEAC	
CC(=O)O[C@H]1CC[C@@]23CO[C@@H](C[C@@H]4[C@@H]5CCC(=O)O[C@]5(C)CC[C@H]42)[C@]3(O)C1	2265351274	AVVPKSAAMYFDHU-RIQSTREUSA-N	378.465	2.360	0	30	GEAC	
CCOC(=O)CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1	4350594	VJMANBNEUBCBBM-UHFFFAOYSA-N	397.400	2.009	0	30	GEAC	
O=C(Nc1ccc(Cl)cc1)NN1CC(=O)N(c2ccccc2F)CC1=O	1036169	BVJNFVHSCJYNIN-UHFFFAOYSA-N	376.775	2.391	0	30	GEAC	
CN(C)/C=C1\C(=O)N(c2ccc(F)cc2F)[C@@H](c2cccnc2)S1(=O)=O	13468669	DFWWVXWXNCXMEG-IUYQLWOBSA-N	379.388	2.223	0	30	GEAC	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(OC)cc1	1043324	CSGNMXVDOWQCQD-GOSISDBHSA-N	388.445	2.239	0	30	GEAC	
CCOC(=O)C(=CNc1cscc1S(=O)(=O)C(C)C)C(=O)OCC	100218631	OLNBYUSZUVDJSK-UHFFFAOYSA-N	375.468	2.352	0	30	GEAC	
O=c1n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1	2034479	PIBKGXNSYQOGKL-UHFFFAOYSA-N	399.450	2.317	0	30	GEAC	
O=C(NCCN1CCN(c2nccc(C(F)(F)F)n2)CC1)c1cccs1	63598641	PHBOQQPLAUGXKM-UHFFFAOYSA-N	385.415	2.109	0	30	GEAC	
CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)[C@H]1/N=N/c1ccc([N+](=O)[O-])cc1Cl	100244966	FNRBXWCMRXIJBE-CZFBLOLDSA-N	399.816	2.106	0	30	GEAC	
O[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O	136532106	ZAZZFZLLPGMINF-ODAXIHTASA-N	392.451	2.434	0	30	GEAC	
Cc1nn(C)c(N2CCOCC2)c1-c1noc(C)c1C(=O)NCc1ccccc1	1615773682	IWNATKDPTNZZEU-UHFFFAOYSA-N	395.463	2.459	0	30	GEAC	
CN(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	1031167	REJKITLGIXLPKN-UHFFFAOYSA-N	389.477	2.026	0	30	GEAC	
CCCc1cnc(N2CCN(CC(=O)Nc3ccc(C(C)=O)cc3)CC2)nc1	63150932	JGBVAKNUDKABRN-UHFFFAOYSA-N	381.480	2.392	0	30	GEAC	
CCOC(C[C@@H](COC(C)=O)Cn1cnc2c(Cl)nc(N)nc21)OCC	82224022	PPAKKRGZASYRFC-LLVKDONJSA-N	385.852	2.030	0	30	GEAC	
CCOC(=O)[C@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(C)=O	1033728	LFTAXBAMBNRXAL-CYBMUJFWSA-N	380.491	2.487	0	30	GEAC	
COC(=O)c1sccc1S(=O)(=O)N1c2ccccc2NC(=O)C[C@@H]1C	1034395	RKQUVTWILRXFQP-JTQLQIEISA-N	380.447	2.461	0	30	GEAC	
FC(F)(F)C1(C(F)(F)F)N=C(c2cccnc2)OC(N2CCOCC2)=N1	1042113	CWTABJOHJAJMKM-UHFFFAOYSA-N	382.264	2.368	0	30	GEAC	
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Sc2ccccc2)O[C@@H]1C	106384916	YPJGKQRQWRZEKO-YNBLHMCPSA-N	382.434	2.319	0	30	GEAC	in-vitro
Cn1c(C(F)(F)F)nnc1S(=O)(=O)Cc1ccc(-c2csnn2)cc1	4389571	YUWARAPNCDIHCV-UHFFFAOYSA-N	389.384	2.326	0	30	GEAC	
CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@H](OC(=O)c2ccccc2)[C@H]1O	135650647	KOUFUTRDALSUPO-WNWCJCMHSA-N	386.400	2.058	0	30	GEAC	
CCOC(=O)c1ccc(/N=N/[C@H]2C(=O)N(c3ccccc3)N=C2C(N)=O)cc1	111870409	XCZDCNNCRLGUAL-VNRULFPQSA-N	379.376	2.204	0	30	GEAC	
Cc1ccc(S(=O)(=O)N[C@@H](C)CN(CCCO)C(=O)OC(C)(C)C)cc1	22053480	COKHOFQISYMIEJ-HNNXBMFYSA-N	386.514	2.281	0	30	GEAC	in-vitro
Cn1cnc(S(=O)(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1	19835197	BRDZRZRGCCRDSH-UHFFFAOYSA-N	394.500	2.496	0	30	GEAC	
COc1cc([C@@H]2NC[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)cc(OC)c1OC	1565503844	XAEYOTZTCNXAKZ-IPELMVKDSA-N	396.443	2.158	0	30	GEAC	
CC(C)(C)OC(=O)N1CCC[C@H](CNS(=O)(=O)c2nc3ccccc3[nH]2)C1	888084867	HDCSFLJSRLICTP-CYBMUJFWSA-N	394.497	2.488	0	30	GEAC	
CN(C(=O)CNC(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1Cl	4216774	RCPMGOCZIHMTRD-UHFFFAOYSA-N	394.258	2.262	0	30	GEAC	in-man
C/C=C(\C)C(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@@H](O)C(C)(C)O	14589875	BAHUBXAYVOCLNA-OEQDPHDDSA-N	376.405	2.484	0	30	GEAC	biogenic,in-vitro
O=C1CCc2cc(OCCCCc3nnnn3[C@H]3CC[C@H](O)CC3)ccc2N1	100017110	KFXNZXLUGHLDBB-IYBDPMFKSA-N	385.468	2.436	0	30	GEAC	
O=C(NC(=O)N1CCOCC1)c1cc(Br)cc(Br)c1	1046452	UXWYCURWXWATKP-UHFFFAOYSA-N	392.047	2.394	0	30	GEAC	
Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H](C(=O)O)N(C(=O)c3ccccc3)C2)cc1	143222919	GNFGMKQAEHZSJC-WBVHZDCISA-N	389.429	2.068	0	30	GEAC	
COc1cc([C@@H]2NC[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)cc(OC)c1OC	1565503847	XAEYOTZTCNXAKZ-SNRMKQJTSA-N	396.443	2.158	0	30	GEAC	
O=C(Nc1ccc(NC(=O)c2nccnc2C(=O)O)cc1)c1ccccc1O	4324662	SQAKEGSNIZBCIQ-UHFFFAOYSA-N	378.344	2.385	0	30	GEAC	
Cn1c(CNC(=O)OC(C)(C)C)nnc1SCC(=O)NCc1ccccc1	1040267	FAGNQUFBCKRFKS-UHFFFAOYSA-N	391.497	2.248	0	30	GEAC	
COc1ccc(OC[C@@H](O)CNC(=S)Nc2ccc3c(c2)OCO3)cc1	1033498	ONWLNILXDLFYTN-ZDUSSCGKSA-N	376.434	2.150	0	30	GEAC	
COc1ccc(N2C(=O)[C@@H]3C(C(C)=O)=NN(c4ccc(C)cc4)[C@@H]3C2=O)cc1	100224931	RTFARDUOAXZBTK-MJGOQNOKSA-N	377.400	2.327	0	30	GEAC	
COC(=O)[C@@H]1CCC[C@@H]2[C@@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]12C	34554762	BDMPRXRGZXNSLR-WLOBYMLMSA-N	380.481	2.223	0	30	GEAC	
CC(=O)O[C@H]1CC[C@@]23CO[C@@H](C[C@H]4[C@@H]2CC[C@@]2(C)OC(=O)CC[C@@H]42)[C@]3(O)C1	2265351272	AVVPKSAAMYFDHU-JLYDJJJDSA-N	378.465	2.360	0	30	GEAC	
O=C(O)c1nccnc1C(=O)N1CCCN(c2c(Cl)cncc2Cl)CC1	4324987	CIRRFQFCYHWOLO-UHFFFAOYSA-N	396.234	2.229	0	30	GEAC	
CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1	113194795	UFKLYTOEMRFKAD-GASCZTMLSA-N	397.479	2.482	0	30	GEAC	
CNC(=O)[C@@H](Sc1nnc(NC(=O)c2ccc(Cl)cc2)s1)C(C)=O	2146093	HZRGAJASGDNUJS-JTQLQIEISA-N	384.870	2.240	0	30	GEAC	
COc1cccc(N2CCN(C[C@@H](O)COc3ccc(NC(C)=O)cc3)CC2)c1	29715269	QTFUTODOMLWXOS-HXUWFJFHSA-N	399.491	2.216	0	30	GEAC	
O=S(=O)(NCCCN1CCCC1)c1ccc(I)cc1	15042725	LYFXQZJGPSVUSN-UHFFFAOYSA-N	394.278	2.055	0	30	GEAC	
COCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1	3131827	ZZTHGEVBMCAQGU-UHFFFAOYSA-N	398.506	2.111	0	30	GEAC	
O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1	1033350	PEBNHFVPDSQGKO-MRXNPFEDSA-N	389.814	2.449	0	30	GEAC	
CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1	3872313	HZTMGWSBSDLALI-UHFFFAOYSA-N	398.548	2.095	0	30	GEAC	in-man
Cc1[nH]nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1I	1535646037	OWLRCXDCFRJIFS-UHFFFAOYSA-N	392.241	2.380	0	30	GEAC	
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SC[C@H]4CF)CC1	3789461	YHMYZZSLDKKBQL-SNVBAGLBSA-N	395.431	2.207	0	30	GEAC	
O=C(CSc1nnnn1-c1ccccc1)NCCSCc1ccco1	4364852	JGVCOZPIQDGCIV-UHFFFAOYSA-N	375.479	2.397	0	30	GEAC	
COC(=O)[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Br)cc2)CC1	1251585393	PMVLOPOMSVUEOF-KLPPZKSPSA-N	376.272	2.459	0	30	GEAC	
O=C(O)CSCC(=O)N1CCN(c2nc3cc(Cl)ccc3s2)CC1	1031041	NMAWIMGDJMMMPK-UHFFFAOYSA-N	385.898	2.416	0	30	GEAC	
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SC[C@@H]4CF)CC1	5140841	YHMYZZSLDKKBQL-JTQLQIEISA-N	395.431	2.207	0	30	GEAC	
COc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)c(N2CCOCC2)n1	4381403	DIVFCXSCSKRRAQ-LSDHHAIUSA-N	389.452	2.313	0	30	GEAC	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc(CO)cc1	218897857	AWZITSKTOAURSJ-BBRMVZONSA-N	393.484	2.171	0	30	GEAC	
O=C(Nc1ccc(F)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	1034152	YTUSVKWEMLXVHT-GOSISDBHSA-N	385.395	2.342	0	30	GEAC	
Cc1ccc(C)n1CCN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	19924618	AIPMYKZIXJGOCN-UHFFFAOYSA-N	383.464	2.390	0	30	GEAC	
COc1ccc([C@@H]2CNC(=O)C2)cc1OCCN1CCN(c2ccccc2)CC1	33606404	LJIYALDEFRXWMW-IBGZPJMESA-N	395.503	2.500	0	30	GEAC	
COc1cc([C@@H]2NC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)cc(OC)c1OC	1565503845	XAEYOTZTCNXAKZ-LZQZEXGQSA-N	396.443	2.158	0	30	GEAC	
CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OC(=O)c2ccccc2)[C@H]1O	196576604	KOUFUTRDALSUPO-TWYNJABESA-N	386.400	2.058	0	30	GEAC	
CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)c1ccccc1	230882624	WHKUKOCUXSRSAR-OXMKXFLHSA-N	386.400	2.058	0	30	GEAC	
COC(=O)c1ccc(C)c(-n2c(=O)n(Cc3ccccc3)c(=O)c3[nH]cnc32)c1	1040175	LRGVESULNQRGTE-UHFFFAOYSA-N	390.399	2.019	0	30	GEAC	
Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1C	1033349	YSYXRZPNUIGPSU-SFHVURJKSA-N	383.423	2.412	0	30	GEAC	
COC(=O)c1cnn2cc(B3OC(C)(C)C(C)(C)O3)cc(Br)c12	382638740	JXQBVQVEUPIMEM-UHFFFAOYSA-N	381.035	2.183	0	30	GEAC	
CNC(=O)[C@H](NC(=O)[C@@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C	215537634	GHVMTHKJUAOZJP-SZMVWBNQSA-N	391.512	2.139	0	30	GEAC	
CCOC(=O)[C@@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(C)=O	1033729	LFTAXBAMBNRXAL-ZDUSSCGKSA-N	380.491	2.487	0	30	GEAC	
CCCS(=O)(=O)c1cscc1NC=C(C(=O)OCC)C(=O)OCC	4344868	FSQWPPFEYBZPKY-UHFFFAOYSA-N	375.468	2.354	0	30	GEAC	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCCC(=O)O)cc2)n1	4333253	AVYYPUMESRQRPQ-UHFFFAOYSA-N	392.437	2.088	0	30	GEAC	
CN(C)/C=C1\C(=O)N(c2ccc(F)cc2F)[C@H](c2cccnc2)S1(=O)=O	33364545	DFWWVXWXNCXMEG-OBHPCNEJSA-N	379.388	2.223	0	30	GEAC	
CC(C)(C)OC(=O)NC1(c2ccc(B(O)OC(C)(C)C(C)(C)O)cc2)CC1	232321344	YRBZYXGQBIPUCB-UHFFFAOYSA-N	377.290	2.454	0	30	GEAC	
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@]2(C)[C@]1(O)C(=O)O	39322985	PFAGPIFFRLDBRN-MVHLCZEMSA-N	378.440	2.419	0	30	GEAC	
CCCCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(C)=O	138406462	UUBMYIILYWHUQX-OALUTQOASA-N	392.496	2.314	0	30	GEAC	
COc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)c(N2CCOCC2)n1	4381400	DIVFCXSCSKRRAQ-HUUCEWRRSA-N	389.452	2.313	0	30	GEAC	
Cc1nn(C)c(OCC(F)(F)F)c1-c1noc(C)c1C(=O)N1CCOCC1	1615773671	GZQTXNQWMLJRDE-UHFFFAOYSA-N	388.346	2.105	0	30	GEAC	
O=C(O)/C=C/C(=O)OCCN1CCN(c2nc3ccc(Cl)cc3s2)CC1	4299341	GMKKAYYPHYDVGK-ONEGZZNKSA-N	395.868	2.256	0	30	GEAC	
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)O)[C@H]1c1ccccc1Cl	196302062	RMMLXNROVBYURX-MRXNPFEDSA-N	394.855	2.178	0	30	GEAC	in-vitro
COC(=O)c1sccc1S(=O)(=O)N1c2ccccc2NC(=O)C[C@H]1C	1034396	RKQUVTWILRXFQP-SNVBAGLBSA-N	380.447	2.461	0	30	GEAC	
CC1(C)O[C@@H]2[C@@H](O1)[C@H](OC(=O)/C=C/c1ccccc1)[C@@H](O)[C@H]1OC(C)(C)O[C@@H]21	2265351485	BYNGEEJWBHJREQ-BUBNXJKISA-N	390.432	2.026	0	30	GEAC	
CCOC(=O)N1CCN(C[C@@H](O)COc2ccc(OC(F)(F)F)cc2)CC1	20405945	MPJMPFWQZBTNQB-CYBMUJFWSA-N	392.374	2.099	0	30	GEAC	
COc1cc([C@@H]2NC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)cc(OC)c1OC	1565503846	XAEYOTZTCNXAKZ-MNEFBYGVSA-N	396.443	2.158	0	30	GEAC	
CC(=O)N1[C@H](c2ccccc2OC(=O)c2cc(C)on2)C[C@@]2(C)CC(=O)N[C@@H]12	44014762	DJFJZLWLXOLNRE-YSSFQJQWSA-N	383.404	2.348	0	30	GEAC	
CN1C(=O)c2ccccc2N[C@@H]1COc1ccc(C[C@H]2SC(=O)NC2=O)cc1	13912703	FKAZBXUMFUSJED-SJORKVTESA-N	397.456	2.483	0	30	GEAC	
O=C(c1ccc2c(c1)OCO2)N1CCN(C[C@@H]2COc3ccccc3O2)CC1	38633977	DKBYDEUOHQTWMC-MRXNPFEDSA-N	382.416	2.013	0	30	GEAC	
O[C@@H](CNC1CCN(Cc2ccccc2)CC1)COc1ccc2c(c1)OCO2	4299492	UAAFEWNHVDVMFZ-IBGZPJMESA-N	384.476	2.409	0	30	GEAC	
CCNC(=N)Nc1nc(N2CCN(C)CC2)c2cn(-c3ccccc3)cc2n1	536554699	FZTKVGHVOTYODY-UHFFFAOYSA-N	378.484	2.128	0	30	GEAC	
CC(C)(C)OC(=O)N1C(=O)c2ncccc2C2=C[C@H](O)[C@H]3OC(C)(C)O[C@H]3[C@@H]21	2265351897	MGSQYHNLZYEEOK-XZDPQHSOSA-N	388.420	2.119	0	30	GEAC	
O=C1CCCN1C[C@H](O)CN1CCN(c2nc3ccc(Cl)cc3s2)CC1	20405998	XSNUJCRHEHCMJM-CQSZACIVSA-N	394.928	2.055	0	30	GEAC	
Cc1ccc(C(N)=O)cc1NC(=O)c1ccnc(N2CCN(CC3CC3)CC2)c1	40435176	LLAXOCHUVDNUMW-UHFFFAOYSA-N	393.491	2.273	0	30	GEAC	
CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)[C@H]1/N=N/c1ccc([N+](=O)[O-])cc1Cl	111910844	FNRBXWCMRXIJBE-SCTZSISDSA-N	399.816	2.106	0	30	GEAC	
COc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2ccc(C)c(C)c2)cc1	1033426	VFBKHBXTFDEUIS-LJQANCHMSA-N	395.459	2.281	0	30	GEAC	
CN(C)c1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)OCO3)cc1	1029682	QLVMPUISSWOZKX-UHFFFAOYSA-N	383.433	2.432	0	30	GEAC	
COc1cc(C(=O)CN2CCN(c3nccs3)CC2)cc(OC)c1OC	95859909	NCTUKRHBMOIXJV-UHFFFAOYSA-N	377.466	2.174	0	30	GEAC	
Cn1c(Oc2ccc(F)cc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C	1035596	RNERFSXEUFLXAR-UHFFFAOYSA-N	380.379	2.413	0	30	GEAC	
C[C@]12CC[C@H]3[C@@H]([C@H](O)C=C4C[C@H](OS(N)(=O)=O)CC[C@@]43C)[C@@H]1CCC2=O	95924573	MNBRJVRSKWOGDJ-VFELUIQASA-N	383.510	2.078	0	30	GEAC	
O=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1	19924857	GVEMRBMQHAMCMC-UHFFFAOYSA-N	396.415	2.200	0	30	GEAC	
CC(=O)OCCS[Sn](C)(C)SCCOC(C)=O	195914898	STOFNUJASTWSKI-UHFFFAOYSA-L	387.111	2.281	0	30	GEAC	
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)Nc1ccc(F)c(F)c1	225713640	XDJIAMDPGBXWIH-FQEVSTJZSA-N	390.386	2.252	0	30	GEAC	
CN1C(=O)c2ccccc2N[C@@H]1COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1	3828955	FKAZBXUMFUSJED-IRXDYDNUSA-N	397.456	2.483	0	30	GEAC	
COc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)c2ccc(C)c(C)c2)cc1	1033427	VFBKHBXTFDEUIS-IBGZPJMESA-N	395.459	2.281	0	30	GEAC	
O[C@H](CNC1CCN(Cc2ccccc2)CC1)COc1ccc2c(c1)OCO2	4299493	UAAFEWNHVDVMFZ-LJQANCHMSA-N	384.476	2.409	0	30	GEAC	
CC(=O)N1[C@H](c2ccccc2OC(=O)c2cc(C)on2)C[C@@]2(C)CC(=O)N[C@H]12	33706389	DJFJZLWLXOLNRE-BEVDRBHNSA-N	383.404	2.348	0	30	GEAC	
Cn1cnc(S(=O)(=O)NC2CCN(Cc3c(F)cccc3Cl)CC2)c1	4302174	OVYCTEPALZTCBB-UHFFFAOYSA-N	386.880	2.156	0	30	GEAC	
COC(=O)/C(C#N)=C/c1ccc(N(CCOC(C)=O)CCOC(C)=O)cc1C	31351211	IJSRGFRRTNHCNS-LDADJPATSA-N	388.420	2.008	0	30	GEAC	
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1	1033617	GJNIADZFJVQTRJ-UHFFFAOYSA-N	388.873	2.262	0	30	GEAC	
O=C(O)CNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1	757306299	NUIYZPLLJCBJOU-UHFFFAOYSA-N	380.400	2.259	0	30	GEAC	
CN(C)c1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1	61963376	ZKYDCYJCVJYJOZ-UHFFFAOYSA-N	387.505	2.235	0	30	GEAC	
O=C1CN2CCO[C@]2(c2ccccc2F)c2cc(Cl)ccc2N1CCO	100044499	WMFSSTNVXWNLKI-LJQANCHMSA-N	376.815	2.351	0	30	GEAC	in-man
COC(=O)Cc1cc(=O)n2nc(C(F)(F)F)c(-c3ccc(OC)cc3)c2[nH]1	100233332	XFBRCXZOZIJGKF-UHFFFAOYSA-N	381.310	2.433	0	30	GEAC	
Cn1c(=O)c2c(Nc3ccc(F)cc3)cc(=O)n(-c3ccccc3)c2n(C)c1=O	1044245	PWWQIFBQHPTZKQ-UHFFFAOYSA-N	392.390	2.271	0	30	GEAC	
CC(=O)Nc1ccc(Nc2ccc(OC[C@H](O)CNC(C)C)cc2)c(=O)cc1	3602473	YCNFXTOAFLIYJY-GOSISDBHSA-N	385.464	2.487	0	30	GEAC	
CC(=O)CSc1nc(SCC(C)=O)c2cnc(N3CCCC3)nc2n1	1036099	JJAQDODUWCQFPX-UHFFFAOYSA-N	377.495	2.382	0	30	GEAC	
Cc1ccc(S(=O)(=O)CCSc2n[nH]c(=O)n2-c2ccccc2)cc1	15923309	BBPXYNHLNHVKTL-UHFFFAOYSA-N	375.475	2.435	0	30	GEAC	
O=C(CSc1n[nH]c(=O)n1-c1ccc2c(c1)OCCO2)Nc1ccccc1	15923300	ZODUJGLYHYPUEG-UHFFFAOYSA-N	384.417	2.063	0	30	GEAC	
COCCCn1cc(CN(C)C[C@@]2(O)COc3cc(C)nn3C2)c2ccccc21	1616057467	UQYBWHLYGLMZDJ-QFIPXVFZSA-N	398.507	2.438	0	30	GEAC	
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2N2CCOCC2)cc1	20223935	BCZOVWQMQJBSST-UHFFFAOYSA-N	382.464	2.316	0	30	GEAC	
S=C(N[C@@H]1C[C@H]2C=C[C@H]1C2)N1CCN(C(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)CC1	100241358	MKEZAFBVCFNWSB-UXJCHEOYSA-N	388.606	2.282	0	30	GEAC	
CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1	59601131	GWAZDDNAPDCJLA-UHFFFAOYSA-N	395.459	2.421	0	30	GEAC	
CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1Cl	100244957	FNRBXWCMRXIJBE-OSQJCFGUSA-N	399.816	2.106	0	30	GEAC	
Cc1ccc(S(=O)(=O)CC[C@H](O)CS(=O)(=O)c2ccc(C)cc2)cc1	2567776	GUCGUVWRKROEGE-INIZCTEOSA-N	382.503	2.302	0	30	GEAC	
CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OC(=O)c2ccccc2)[C@@H]1O	199028575	KOUFUTRDALSUPO-OXMKXFLHSA-N	386.400	2.058	0	30	GEAC	
CC(=O)N1c2cc(C)c(C)c(Br)c2N(C)c2[nH]c(=O)n(C)c(=O)c21	39125381	VQJCGOKQZLBGGS-UHFFFAOYSA-N	393.241	2.219	0	30	GEAC	
O=C(O)c1nccnc1C(=O)NC1CCN(Cc2c(F)cccc2Cl)CC1	4324697	IABVHGADHWPHGH-UHFFFAOYSA-N	392.818	2.362	0	30	GEAC	
O=C(C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1	1033331	DNZHCTRVRWHTSY-MRXNPFEDSA-N	388.374	2.326	0	30	GEAC	
COc1ccc(OC[C@H](O)CNC(=S)Nc2ccc3c(c2)OCCO3)cc1	4333335	KXODUJWGEWBAMK-CQSZACIVSA-N	390.461	2.193	0	30	GEAC	
CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1Cl	111910841	FNRBXWCMRXIJBE-OWOZLIETSA-N	399.816	2.106	0	30	GEAC	
NC(=O)c1ccn(-c2cnc(NC[C@]3(c4ncccc4F)C[C@H](F)C3)nc2)c1	1857523966	MQXWPWOCXGARRK-HJGJAMNPSA-N	384.390	2.382	0	30	GEAC	
COC(=O)c1sccc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1	4297047	YRCOILIXIUMPFH-UHFFFAOYSA-N	395.506	2.087	0	30	GEAC	
CCC(CC(=O)C(F)(F)F)=NNC(=O)C(C#N)=NNc1ccccc1[N+](=O)[O-]	254311460	ZSVPRHIOMDQSRP-UHFFFAOYSA-N	398.301	2.290	0	30	GEAC	
CNC(=O)[C@H](NC(=O)[C@H](CCCc1ccccc1)[C@@H](C)N(O)C=O)C(C)(C)C	215537587	GHVMTHKJUAOZJP-NXHRZFHOSA-N	391.512	2.139	0	30	GEAC	
Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C3CC3)cc2)no1	3119192	AWMFYRBVWKJSGG-UHFFFAOYSA-N	380.451	2.007	0	30	GEAC	
COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C(C(C)=O)=NN3c2ccc(C)cc2)cc1	4334980	RTFARDUOAXZBTK-HKUYNNGSSA-N	377.400	2.327	0	30	GEAC	
O=C(CSc1n[nH]c(=O)n1-c1ccc2c(c1)OCCO2)c1ccc(F)cc1	1324203	AQULFIIYMBMWFE-UHFFFAOYSA-N	387.392	2.446	0	30	GEAC	
CC(C)(C)OC(=O)N1CCN(c2ccc(N3C[C@H](CO)OC3=O)cc2F)CC1	45357762	MOYRUYYEQYIFJI-CQSZACIVSA-N	395.431	2.200	0	30	GEAC	
O=C1NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)N1	2152074	QRYQVYQRGSPDTI-ZROIWOOFSA-N	378.793	2.288	0	30	GEAC	
COC(=O)c1ccc(B(O)OC(C)(C)C(C)(C)O)cc1OCc1ccccc1	200323801	UKPKYVSKWNMZPL-UHFFFAOYSA-N	386.253	2.306	0	30	GEAC	
Cc1ccccc1OCc1nc2ccccc2c(=O)n1CC(=O)N1CCOCC1	33886586	FKVBBGBZGODPED-UHFFFAOYSA-N	393.443	2.143	0	30	GEAC	
CC[C@H](O)[C@@H](/C=C(C)\C=C1/C=CC2=NCC[C@@H]3O[C@@]213)O[C@H]1CC[C@@H](O)[C@@H](C)O1	13886911	YYNGBCGFVNIEML-ARHWDDMQSA-N	389.492	2.453	0	30	GEAC	
O[C@@H](COc1ccc(F)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	20421633	SFZMDTRCMBDKLK-GOSISDBHSA-N	388.439	2.112	0	30	GEAC	
O=C(O)C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H](CO)O1	1615891891	AJEMRXYATKJGCF-HUUCEWRRSA-N	397.427	2.472	0	30	GEAC	
COC(=O)OCCN(CCOC(=O)OC)c1cc(NC(C)=O)ccc1OC	5137984	FFJABVUGEBUVTI-UHFFFAOYSA-N	384.385	2.026	0	30	GEAC	
CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc3nonc23)CC1	1030012	CWEIHUOJWZAEJT-UHFFFAOYSA-N	396.469	2.148	0	30	GEAC	
COc1ccc(OC[C@@H](O)CNC(=S)Nc2ccc3c(c2)OCCO3)cc1	4333336	KXODUJWGEWBAMK-AWEZNQCLSA-N	390.461	2.193	0	30	GEAC	
CCOC(=O)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(=O)OCC)cc2)cc1	5650496	JHSMNLKVPVZMKN-UHFFFAOYSA-N	398.415	2.281	0	30	GEAC	
CC(C)(O)C(C)(C)OB(O)c1ccc(Br)c(Br)c1	200321707	PZPOILSCXGJJNV-UHFFFAOYSA-N	379.885	2.465	0	30	GEAC	
COc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)c(N2CCOCC2)n1	4381395	OLSBNGAOAJMTLV-UHFFFAOYSA-N	377.441	2.291	0	30	GEAC	
O=C(O)COCC(=O)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1	1029935	WVNYTXRNCFNGQB-UHFFFAOYSA-N	383.857	2.090	0	30	GEAC	
COC(=O)c1csc(S(=O)(=O)N=[S@@](C)(=O)c2cccs2)c1OC	13466464	VJSOLRQENXAGGI-QFIPXVFZSA-N	395.505	2.450	0	30	GEAC	
O=C1CCCN1C[C@@H](O)CN1CCN(c2nc3ccc(Cl)cc3s2)CC1	20405996	XSNUJCRHEHCMJM-AWEZNQCLSA-N	394.928	2.055	0	30	GEAC	
CC(C)(C)OC(=O)N1CCN(c2ccc(N3C[C@H](CN)OC3=O)cc2F)CC1	71863781	PCEMTBKNDSHYGA-AWEZNQCLSA-N	394.447	2.167	0	30	GEAC	
CC(=O)Nc1cccc(-n2nnc(SCC(=O)NCc3cccs3)n2)c1	4324656	WJTLCESIEYJTCT-UHFFFAOYSA-N	388.478	2.091	0	30	GEAC	
CN(C)C(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	204857972	VXKRBLOYXZGVTI-SFHVURJKSA-N	382.416	2.457	0	30	GEAC	
COc1cc(C(=O)NC[C@@H](O)CN(C)c2ccc(C)cc2)cc(OC)c1OC	33867193	PCWPSQANCDQLSP-QGZVFWFLSA-N	388.464	2.248	0	30	GEAC	
CON=C(Cn1ncc(N2CCOCC2)c(Cl)c1=O)c1ccc(Cl)cc1	254290737	LCEPYASFUWMGRB-UHFFFAOYSA-N	397.262	2.437	0	30	GEAC	
Nc1cc(S(=O)(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)ccc1O	33609415	TYWRLKQWOXMFDK-UHFFFAOYSA-N	394.430	2.175	0	30	GEAC	
COC(=O)c1csc(S(=O)(=O)N=[S@](C)(=O)c2cccs2)c1OC	100214846	VJSOLRQENXAGGI-JOCHJYFZSA-N	395.505	2.450	0	30	GEAC	
O=S(=O)(c1cc(Br)c(Br)s1)N1CCOCC1	1048960	GLOWKPTVWHWQBR-UHFFFAOYSA-N	391.106	2.294	0	30	GEAC	
O[C@H](COc1ccc(F)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	20421635	SFZMDTRCMBDKLK-SFHVURJKSA-N	388.439	2.112	0	30	GEAC	
CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OC(=O)c2ccccc2)[C@H]1O	136344172	KOUFUTRDALSUPO-DOVHUEEUSA-N	386.400	2.058	0	30	GEAC	
O=C(O)Cn1cnc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1	958742000	MQRLZOVLAGNIHP-UHFFFAOYSA-N	378.388	2.401	0	30	GEAC	
CC(=O)Nc1cccc(-n2nnc(SCC(=O)N(C)c3ccccc3)n2)c1	1030078	OWBBKTFGEBDSJR-UHFFFAOYSA-N	382.449	2.376	0	30	GEAC	
CS(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	60314620	SGRFSKFFNRFQMF-KRWDZBQOSA-N	389.429	2.023	0	30	GEAC	
Nc1c(-c2nc3ccc(N4CCNCC4)cc3[nH]2)c(=O)[nH]c2cccc(F)c12	65739932	DRUNJGIEUWMQHG-UHFFFAOYSA-N	378.411	2.202	0	30	GEAC	in-vitro
CCC(=O)OCCN(CCOC(=O)CC)c1cc(NC(C)=O)ccc1OC	223769607	WHXWUPSTTJEKCQ-UHFFFAOYSA-N	380.441	2.366	0	30	GEAC	
Cn1cnc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1	1030479	OJZLEZYQOAQFIV-UHFFFAOYSA-N	390.387	2.076	0	30	GEAC	
O=C(O)CCNS(=O)(=O)c1cc(Br)sc1Br	36965625	ZUTSPGDXCYXRSW-UHFFFAOYSA-N	393.078	2.026	0	30	GEAC	
CC(=O)O[C@@H]1[C@@H](c2nc3ccccc3s2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O	4336554	UKYUZPFZYHYAOI-SIXLDLHFSA-N	393.417	2.163	0	30	GEAC	
CCOC(=O)c1cnn2c([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)ccnc12	503851672	LPZJCUPSHHRGIF-AWEZNQCLSA-N	376.413	2.214	0	30	GEAC	
O=C(NCc1cc(F)cc(F)c1)[C@]1(O)CCN(c2ccc3[nH]ccc3c2)C1=O	1911936328	WVGGJQVCOTYFPV-HXUWFJFHSA-N	385.370	2.230	0	30	GEAC	
Cn1cc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c(C(F)(F)F)n1	1033567	CBHGBFOMABIMII-UHFFFAOYSA-N	390.387	2.076	0	30	GEAC	
COc1ccc(COC[C@H](O)CS(=O)(=O)c2ccc(OC)c(OC)c2)cc1	1042346	MAVIDAPNVYNVTH-HNNXBMFYSA-N	396.461	2.064	0	30	GEAC	
O[C@@H](CNCc1ccc2c(c1)OCO2)COc1ccc(-c2csnn2)cc1	4324900	STZYFNOVOGEQFS-HNNXBMFYSA-N	385.445	2.463	0	30	GEAC	
O=C(O)C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H](CO)O1	1615891894	AJEMRXYATKJGCF-LSDHHAIUSA-N	397.427	2.472	0	30	GEAC	
COC(=O)c1sccc1NC(=O)CC(=O)Nc1ccsc1C(=O)OC	3126533	WZNVWZUBSGPUSQ-UHFFFAOYSA-N	382.419	2.350	0	30	GEAC	
O=C1c2ccccc2C(=O)N1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1	20421523	FTDPAMPDITYNFP-UHFFFAOYSA-N	390.365	2.476	0	30	GEAC	
O=C(c1ccccc1)C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1	1034427	UITUULXMLAZGDB-UHFFFAOYSA-N	376.412	2.404	0	30	GEAC	
COc1cccc(N2CCN(C[C@H](O)COc3ccc(NC(C)=O)cc3)CC2)c1	29715272	QTFUTODOMLWXOS-FQEVSTJZSA-N	399.491	2.216	0	30	GEAC	
CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1	4334811	WXPUCWLYUGPRLR-UHFFFAOYSA-N	382.482	2.253	0	30	GEAC	
O=S(=O)(c1cccc2nonc12)N1CCCN(CCc2ccccc2)CC1	4324608	YDCGBDSTHLYBLM-UHFFFAOYSA-N	386.477	2.162	0	30	GEAC	
CC(C)(C)c1nc(N)nc(NNS(=O)(=O)c2ccccc2C(F)(F)F)n1	1042832	DJTAAAWCVVBRMJ-UHFFFAOYSA-N	390.391	2.076	0	30	GEAC	
O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1	1033351	PEBNHFVPDSQGKO-INIZCTEOSA-N	389.814	2.449	0	30	GEAC	
O=S(=O)(c1ccccc1)N1CCCN(c2nccc(C(F)(F)F)n2)CC1	1032385	GJVIPCWKWWLBBT-UHFFFAOYSA-N	386.399	2.396	0	30	GEAC	
COc1ccc(Oc2ccc3c(O)c(C(=O)NCC(=O)O)nc(C#N)c3c2)cc1	39134368	JYRMFIRRDIJDFS-UHFFFAOYSA-N	393.355	2.427	0	30	GEAC	
O=C(O)[C@@H]1COCC2(CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)O1	2265385260	XXBIWGAZSXOIPH-IBGZPJMESA-N	395.411	2.490	0	30	GEAC	
COC(=O)c1ccccc1/N=N/[C@H](C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	100392183	DVGMJOMUBTVRAO-QOJBGXHZSA-N	395.375	2.323	0	30	GEAC	
O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1	256979425	CSKDFZIMJXRJGH-GXYBRJDSSA-N	376.334	2.403	0	30	GEAC	
O=C(O)[C@H]1COCC2(CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)O1	2265385261	XXBIWGAZSXOIPH-LJQANCHMSA-N	395.411	2.490	0	30	GEAC	
CN1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1	35613215	XPFLWRGGOSKSLI-UHFFFAOYSA-N	381.401	2.358	0	30	GEAC	
COc1ccc(Oc2ccc(S(=O)(=O)N(CCCN)CCCN)cc2)cc1	95883486	SDIHRWYFMSCBNA-UHFFFAOYSA-N	393.509	2.176	0	30	GEAC	
CN(CC1CCN(c2ncc(C(=O)NO)cn2)CC1)c1cn(C)c2ccccc12	148623594	MIMAEZZIUSOJAH-UHFFFAOYSA-N	394.479	2.440	0	30	GEAC	
O=S(=O)(CCSc1nnc(O)n1Cc1ccco1)c1ccc(F)cc1	1033977	YHWJWPMLXGMNKP-UHFFFAOYSA-N	383.426	2.330	0	30	GEAC	
CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OC(=O)c2ccccc2)[C@H]1O	38346000	KOUFUTRDALSUPO-LRXQYKGQSA-N	386.400	2.058	0	30	GEAC	
C/C(=C(/O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C(O)=C(\C)c1ccccc1)c1ccccc1	112961709	WOOQSKAMMPIQIW-HCXPZJNHSA-N	386.444	2.408	0	30	GEAC	
O=C(CCn1cnc2ncccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1	1044402	IVUZTMUESOXDNZ-UHFFFAOYSA-N	397.866	2.184	0	30	GEAC	
COC(=O)C(=CN(C)C)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	2265269952	ZYYZXIDLFFOOSA-UHFFFAOYSA-N	386.279	2.261	0	30	GEAC	
CC(=O)Nc1ccc(Nc2ccc(OC[C@@H](O)CNC(C)C)cc2)c(=O)cc1	3602471	YCNFXTOAFLIYJY-SFHVURJKSA-N	385.464	2.487	0	30	GEAC	
O=C(O)CSCC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1	20421571	VDEAXTLVJUJDQI-UHFFFAOYSA-N	379.869	2.355	0	30	GEAC	
O=C(NCCCN1CCN(c2nccc(C(F)(F)F)n2)CC1)c1cccs1	4299622	SNUUGRLKMDVURI-UHFFFAOYSA-N	399.442	2.499	0	30	GEAC	
NS(=O)(=O)c1cc(S(=O)(=O)Oc2ccccc2)c(Cl)cc1Cl	38638247	XIJVOPHKEWHUNN-UHFFFAOYSA-N	382.246	2.409	0	30	GEAC	
Cc1c(N(CNC(=O)c2cccnc2)C(C)C)c(=O)n(-c2ccccc2)n1C	538089	MZQAQBDIKUFBSF-UHFFFAOYSA-N	379.464	2.482	0	30	GEAC	in-man
Cn1c(=O)c2c(NCc3ccccc3)cc(=O)n(-c3ccccc3)c2n(C)c1=O	1036977	MHVVMCPXWJTJOU-UHFFFAOYSA-N	388.427	2.000	0	30	GEAC	
O=C(O)C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H](CO)O1	725242030	AJEMRXYATKJGCF-GJZGRUSLSA-N	397.427	2.472	0	30	GEAC	
CCOC(=O)[C@](NCCOC)(NC(=O)c1ccccc1Cl)C(F)(F)F	20432337	VIBBRMSECNOLTI-AWEZNQCLSA-N	382.766	2.128	0	30	GEAC	
O=C(CSc1n[nH]c(=O)n1Cc1ccco1)c1ccc2c(c1)OCCCO2	4334525	KUJFYXLJACQGCQ-UHFFFAOYSA-N	387.417	2.349	0	30	GEAC	
O=C(C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1	1033330	DNZHCTRVRWHTSY-INIZCTEOSA-N	388.374	2.326	0	30	GEAC	
COC(=O)C1=CC(C(=O)c2cccs2)=NN(c2ccccc2)[C@@H]1C(=O)OC	1033463	GTNXJHOMZWNNFS-INIZCTEOSA-N	384.413	2.448	0	30	GEAC	
COc1cc(C(=O)NC[C@H](O)CN(C)c2ccc(C)cc2)cc(OC)c1OC	33867194	PCWPSQANCDQLSP-KRWDZBQOSA-N	388.464	2.248	0	30	GEAC	
COC(=O)c1ccccc1/N=N/[C@@H](C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	100392179	DVGMJOMUBTVRAO-FTOHGRHOSA-N	395.375	2.323	0	30	GEAC	
COc1cc(C(=O)CC(=O)N2CCN(c3ccccn3)CC2)cc(OC)c1OC	3615168	ZFRHXFZTWUXYBY-UHFFFAOYSA-N	399.447	2.029	0	30	GEAC	
O=C(N[C@H](CN1CCOCC1)C(=O)O)OCC1c2ccccc2-c2ccccc21	276100273	FORMPPIZRSYWEP-HXUWFJFHSA-N	396.443	2.311	0	30	GEAC	
CN1C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)CC1=O	725262563	UJBSYYVOTQAZGU-SFHVURJKSA-N	380.400	2.163	0	30	GEAC	
O=C(CSc1nnnn1-c1ccc(O)cc1)NCCSCc1ccco1	4364802	FMPZKMGVSVQQAD-UHFFFAOYSA-N	391.478	2.103	0	30	GEAC	
COc1ccc(OC[C@H](O)CNC(=S)Nc2ccc3c(c2)OCO3)cc1	4333119	ONWLNILXDLFYTN-CYBMUJFWSA-N	376.434	2.150	0	30	GEAC	
CC(C)n1ncnc1-c1cn2c(n1)-c1cc(O[C@@H](C)C(N)=O)ccc1OCC2	2265326432	KBVVTVLWDQWTAT-LBPRGKRZSA-N	382.424	2.035	0	30	GEAC	
O=C1CN2CCO[C@@]2(c2ccccc2F)c2cc(Cl)ccc2N1CCO	39959893	WMFSSTNVXWNLKI-IBGZPJMESA-N	376.815	2.351	0	30	GEAC	in-man
COc1nc(C)ccc1-c1cc(Nc2cncc(O[C@@H]3CCCNC3)n2)n[nH]1	199531075	LAEFIEWPUJMANC-CYBMUJFWSA-N	381.440	2.453	0	30	GEAC	
CCOC(=O)c1cnn2c([C@H]3CN(C(=O)OC(C)(C)C)CCO3)ccnc12	503851673	LPZJCUPSHHRGIF-CQSZACIVSA-N	376.413	2.214	0	30	GEAC	
Cn1nc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1C(F)(F)F	1038096	ZWMLJKHMWUECJD-UHFFFAOYSA-N	381.401	2.188	0	30	GEAC	
CCOC(C[C@H](COC(C)=O)Cn1cnc2c(Cl)nc(N)nc21)OCC	82224021	PPAKKRGZASYRFC-NSHDSACASA-N	385.852	2.030	0	30	GEAC	
CN1C(=O)c2ccccc2N[C@H]1COc1ccc(C[C@H]2SC(=O)NC2=O)cc1	1904212	FKAZBXUMFUSJED-IAGOWNOFSA-N	397.456	2.483	0	30	GEAC	
CCOCN(C(=O)CSC[C@H](NC(C)=O)C(=O)O)c1c(C)cccc1CC	223623721	GHLGULDIYITSCS-INIZCTEOSA-N	396.509	2.207	0	30	GEAC	
CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)c1ccccc1	230882630	WHKUKOCUXSRSAR-MRTPNAOKSA-N	386.400	2.058	0	30	GEAC	
COc1ccc(OC)c(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)c1	1034514	ZBNFZXWKRJSBBW-UHFFFAOYSA-N	393.461	2.468	0	30	GEAC	
O[C@H](CNCc1ccc2c(c1)OCO2)COc1ccc(-c2csnn2)cc1	4324899	STZYFNOVOGEQFS-OAHLLOKOSA-N	385.445	2.463	0	30	GEAC	
O=Cc1cccc(OCCOCCOCCOc2cccc(C=O)c2O)c1O	34770735	ISEWYTMBYAEVRZ-UHFFFAOYSA-N	390.388	2.214	0	30	GEAC	
COc1ccc(OC)c(S(=O)(=O)NCc2nn(-c3ccccc3)nc2C)c1	1034909	QUKJPHSTGQGXHG-UHFFFAOYSA-N	388.449	2.071	0	30	GEAC	
COc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)c(N2CCOCC2)n1	4381402	DIVFCXSCSKRRAQ-GJZGRUSLSA-N	389.452	2.313	0	30	GEAC	
CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc(C(=O)O)c2)CC1	15042606	ZFEVPIOFSOWFHU-UHFFFAOYSA-N	384.454	2.016	0	30	GEAC	
COC(=O)c1csc(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)c1OC	13466460	JJQIEUNPDBJSGA-QHCPKHFHSA-N	389.476	2.389	0	30	GEAC	
CCOC(=O)[C@@](NCCOC)(NC(=O)c1ccccc1Cl)C(F)(F)F	20432335	VIBBRMSECNOLTI-CQSZACIVSA-N	382.766	2.128	0	30	GEAC	
CON(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	36442698	WVKAURXOOUCJIO-GJZGRUSLSA-N	387.521	2.477	0	30	GEAC	
CNC(=O)[C@H](NC(=O)[C@@H](CCCc1ccccc1)[C@@H](C)N(O)C=O)C(C)(C)C	215537678	GHVMTHKJUAOZJP-NJAFHUGGSA-N	391.512	2.139	0	30	GEAC	
O=c1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)coc2ccccc12	1028456	CDWVOXSWSBGHMO-UHFFFAOYSA-N	388.420	2.443	0	30	GEAC	
COc1ccc(CNC[C@H](O)COc2ccc3[nH]c(=O)ccc3c2)cc1OC	2015953	BYKYPZBCMBEEGU-INIZCTEOSA-N	384.432	2.075	0	30	GEAC	in-man
CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OC(=O)c2ccccc2)[C@@H]1O	136526405	KOUFUTRDALSUPO-MRTPNAOKSA-N	386.400	2.058	0	30	GEAC	
O=S(=O)(c1ccc(-c2ccno2)s1)N1CCN(c2ccncc2)CC1	12340509	ARYLDLLXBNXXNQ-UHFFFAOYSA-N	376.463	2.309	0	30	GEAC	
N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1	201355483	WSALVJKZXXZPMA-OALUTQOASA-N	377.448	2.062	0	30	GEAC	
Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc2c(c1)OCO2	1030771	ZWFVBFGZCDXLQY-UHFFFAOYSA-N	392.433	2.031	0	30	GEAC	
O=C(NCCO)c1cc(Br)cc(-c2ccccc2)c1OCCO	2000338	AFQKQSFAMSDDFK-UHFFFAOYSA-N	380.238	2.209	0	30	GEAC	
O=C(O)CCC(=O)OCCN1CCN(c2nc3ccc(Cl)cc3s2)CC1	3118256	DVONKRQIJUZYGN-UHFFFAOYSA-N	397.884	2.480	0	30	GEAC	
CC[C@H]1CC[C@@]2(C)CN(CC)[C@H]3[C@@H]4[C@@H](O)[C@H]2[C@]13[C@@H]1C[C@H]2CC[C@@]4(O)[C@H]1C(=O)O2	725447460	ALJPNEUKWIMJBY-FMECPYMKSA-N	389.536	2.197	0	30	GEAC	
CCOC(=O)c1cc(-c2csc(CS(=O)(=O)c3ccccn3)n2)on1	1047991	YOOUGDHWIITKDW-UHFFFAOYSA-N	379.419	2.344	0	30	GEAC	
CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc3nsnc23)CC1	1035123	HCBUAINOFGOILU-UHFFFAOYSA-N	398.510	2.323	0	30	GEAC	
O=S(=O)(c1ccc(F)cc1F)N1CCN(CCOc2ccccc2)CC1	19880198	SSTGFISRQDCSQV-UHFFFAOYSA-N	382.432	2.350	0	30	GEAC	
O=C(O)C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H](CO)O1	725242029	AJEMRXYATKJGCF-CABCVRRESA-N	397.427	2.472	0	30	GEAC	
CN1C[C@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)CC1=O	725262561	UJBSYYVOTQAZGU-GOSISDBHSA-N	380.400	2.163	0	30	GEAC	
CN1CCN(C(=O)CN[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1	115753250	YAMSXCOVJUUMCT-VXKWHMMOSA-N	379.504	2.485	0	30	GEAC	
O=C(c1c(F)cccc1F)N1CCN(c2ncc(Br)cn2)CC1	1042064	NRFFBHDCSFXRDO-UHFFFAOYSA-N	383.196	2.480	0	30	GEAC	
COC(=O)N1O[C@@]2(Br)C(Br)=C[C@H]1[C@@H]1OC(C)(C)O[C@@H]12	2265351714	ITUNGMDJJXMSEA-RYVZHVEOSA-N	399.035	2.272	0	30	GEAC	
COC(=O)c1c(C)ccc(C(C)C)c1OCC(=O)OCCN1CCOCC1	31982791	ISJYJYCUFQBHMN-UHFFFAOYSA-N	379.453	2.159	0	30	GEAC	
CN1C(=O)c2ccccc2N[C@H]1COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1	13912702	FKAZBXUMFUSJED-DLBZAZTESA-N	397.456	2.483	0	30	GEAC	
S=C(N[C@H]1C[C@H]2C=C[C@H]1C2)N1CCN(C(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)CC1	100241359	MKEZAFBVCFNWSB-UGDFAFBOSA-N	388.606	2.282	0	30	GEAC	
Cn1c(=O)c2c(nc(N(Cc3ccccc3)Cc3ccccc3)n2C)n(C)c1=O	13209756	RELWZSIMCNXVCC-UHFFFAOYSA-N	389.459	2.178	0	30	GEAC	
CNC(=O)[C@H](Sc1nnc(NC(=O)c2ccc(Cl)cc2)s1)C(C)=O	2146095	HZRGAJASGDNUJS-SNVBAGLBSA-N	384.870	2.240	0	30	GEAC	
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@]12F	13543354	BHDHELFREODRJK-PBGGHTPGSA-N	378.440	2.082	0	30	GEAC	
O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1	616577307	TWKYXZSXXXKKJU-HXUWFJFHSA-N	380.492	2.195	0	30	GEAC	
O=C(c1ccc2c(c1)OCO2)N1CCN(C[C@H]2COc3ccccc3O2)CC1	38633974	DKBYDEUOHQTWMC-INIZCTEOSA-N	382.416	2.013	0	30	GEAC	
O=C(c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(Cl)cc1Cl	28000866	CJXJJGDRQVUNSQ-SPUZQDLCSA-N	399.226	2.042	0	30	GEAC	
COc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(C(=O)O)cc1OC	4297041	VPOFHSJFJVLRFC-UHFFFAOYSA-N	394.405	2.161	0	30	GEAC	
CC(=O)O[C@H]1[C@H](C)O[C@@H](Sc2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	35653003	YPJGKQRQWRZEKO-VVRBALCJSA-N	382.434	2.319	0	30	GEAC	in-vitro
CN1C(C(=O)Nc2ccc(O)cn2)=C(O)c2sc(Cl)cc2S1(=O)=O	5423072	NQOMZUZLRFQVLR-UHFFFAOYSA-N	387.826	2.002	0	30	GEAC	endogenous,world
C[C@]12CC[C@H]3[C@@H]([C@H](O)C=C4C[C@@H](OS(N)(=O)=O)CC[C@@]43C)[C@@H]1CCC2=O	13530391	MNBRJVRSKWOGDJ-JIEICEMKSA-N	383.510	2.078	0	30	GEAC	
COC(=O)c1csc(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)c1OC	100214850	JJQIEUNPDBJSGA-HSZRJFAPSA-N	389.476	2.389	0	30	GEAC	
CC(=O)O[C@H]1[C@H](C)O[C@@H](Sc2ccccc2)[C@H](OC(C)=O)[C@H]1OC(C)=O	90759978	YPJGKQRQWRZEKO-VLNMDUJLSA-N	382.434	2.319	0	30	GEAC	in-vitro
O=C(Nc1ccc(F)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	1034151	YTUSVKWEMLXVHT-SFHVURJKSA-N	385.395	2.342	0	30	GEAC	
COc1ccc(N2C(=O)[C@@H]3C(C(C)=O)=NN(c4ccc(C)cc4)[C@H]3C2=O)cc1	100224929	RTFARDUOAXZBTK-IEBWSBKVSA-N	377.400	2.327	0	30	GEAC	
Cc1nc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)cn1C	1033449	OIQKQOQCAFDPOO-UHFFFAOYSA-N	375.479	2.499	0	30	GEAC	
O=C(O)COCC(=O)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1	4324566	GSUBELAMVWBHBQ-UHFFFAOYSA-N	397.353	2.003	0	30	GEAC	
O=C(O)[C@@H]1Cn2cnnc2CN1C(=O)OCC1c2ccccc2-c2ccccc21	669371901	DYPKFPSVNADVRM-SFHVURJKSA-N	390.399	2.496	0	30	GEAC	
CN1C(=O)[C@H](NC(=O)c2cc(Cc3ccccc3)on2)COc2ccccc21	888086888	KNOUWGGQMADIBV-QGZVFWFLSA-N	377.400	2.419	0	30	GEAC	
CS(=O)(=O)N1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1	96331660	ZKHIWSTVWAUZOC-UHFFFAOYSA-N	385.533	2.037	0	30	GEAC	
CC(C)(CC(=O)O)CC(=O)N1CCCN(c2nccc(C(F)(F)F)n2)CC1	1032373	YZCUVYVBGOOCJB-UHFFFAOYSA-N	388.390	2.425	0	30	GEAC	
COc1ccc(N2C(=O)[C@H]3C(C(C)=O)=NN(c4ccc(C)cc4)[C@H]3C2=O)cc1	100224932	RTFARDUOAXZBTK-PKOBYXMFSA-N	377.400	2.327	0	30	GEAC	
COc1cc(OC)c(OC)cc1/C=C(\C1=NC(CO)(CO)CO1)c1ccccc1	38644284	RIVMDWVDTYXUET-MFOYZWKCSA-N	399.443	2.405	0	30	GEAC	
CCOC(=O)c1c(S(=O)(=O)N2CCOCC2)c(C)n(-c2ccccc2)c1C	1047149	OKDOJHQWWJFORV-UHFFFAOYSA-N	392.477	2.292	0	30	GEAC	
COc1ccc([C@H]2CNC(=O)C2)cc1OCCN1CCN(c2ccccc2)CC1	33606407	LJIYALDEFRXWMW-LJQANCHMSA-N	395.503	2.500	0	30	GEAC	
COc1ccc(CCNC(=O)Cc2cc(OC)c(OC)cc2CO)cc1OC	1045606	KAWHHEBEDVFXRV-UHFFFAOYSA-N	389.448	2.115	0	30	GEAC	
Nc1nc(-c2ccncc2)ncc1S(=O)(=O)c1ccc(C(F)(F)F)cn1	1038480	YZEOWNVHOWTHSI-UHFFFAOYSA-N	381.339	2.367	0	30	GEAC